2-Aminobenzyl alcohol
PubChem CID: 21439
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| Compound Synonyms | 2-Aminobenzyl alcohol, 5344-90-1, (2-Aminophenyl)methanol, 2-aminobenzylalcohol, 2-Aminobenzenemethanol, o-Aminobenzyl alcohol, Benzenemethanol, 2-amino-, o-(Hydroxymethyl)aniline, o-Aminobenzylic alcohol, 2-Hydroxymethylaniline, BENZYL ALCOHOL, o-AMINO-, (2-Amino-phenyl)-methanol, NSC 1173, MFCD00007749, JK3AH3NG9C, EINECS 226-293-7, O-AMINO-BENZYLALCOHOL, o-Aminophenylcarbinol, BRN 1072211, (o-Aminophenyl)methanol, NSC-1173, (2-aminophenyl)-methanol, UNII-JK3AH3NG9C, DTXSID6063800, EC 226-293-7, 3-13-00-01615 (Beilstein Handbook Reference), 2-(Hydroxymethyl)aniline, 1bio, o-aminobenzylalcohol, Mianserin Hydrochloride Imp. C (EP), Mianserin Imp. C (EP), (2-Aminophenyl)methanol, Benzocaine Impurity B, Mianserin Hydrochloride Impurity C, Mianserin Impurity C, oAminobenzyl alcohol, 2Aminobenzenemethanol, 2-aminophenylmethanol, oAminobenzylic alcohol, 0-aminobenzyl alcohol, 2-amino-benzylalcohol, o-amino-benzyl alcohol, Benzyl alcohol, oamino, o(Hydroxymethyl)aniline, 2-amino-benzenemethanol, 2-amino-benzyl alcohol, Benzenemethanol, 2amino, WLN: ZR B1Q, Oprea1_783408, SCHEMBL16252, 2-Aminobenzyl alcohol, 98%, CHEMBL1235999, DTXCID0041436, NSC1173, STR03329, BBL027657, STK077953, AKOS000119677, CS-W004705, DB03058, FA64445, HY-W004705, PB47249, PS-3377, AC-11377, SY006439, DB-020514, A1000, NS00004005, EN300-21387, A829598, AC-907/25014178, Q27094019, F0001-1388, Z104495736, 2-Hydroxymethyl aniline, 2-Aminobenzyl alcohol, 2-Amino-benzenemethanol, 226-293-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OCcccccc6N |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzyl alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 85.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P27986, P42336, P42336, O43511 |
| Iupac Name | (2-aminophenyl)methanol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H9NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VYFOAVADNIHPTR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.1428571428571428 |
| Logs | -0.636 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.756 |
| Synonyms | 2-(2'-aminobenzylamino)-benzyl-alcohol, 2-amino-benzyl-alcohol, 2-aminobenzyl alcohol |
| Esol Class | Very soluble |
| Functional Groups | CO, cN |
| Compound Name | 2-Aminobenzyl alcohol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 123.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 123.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 123.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -0.9993943333333332 |
| Inchi | InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2 |
| Smiles | C1=CC=C(C(=C1)CO)N |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Coptis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hyoscyamus Albus (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Justicia Gendarussa (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Salacia Macrosperma (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Trigonostemon Lii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all