2-(Aminomethyl)phenol
PubChem CID: 70267
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| Compound Synonyms | 2-(Aminomethyl)phenol, 932-30-9, 2-hydroxybenzylamine, (Aminomethyl)phenol, o-hydroxybenzylamine, 2-HOBA, 50312-64-6, 2-HYDROXYLBENZYLAMINE, 2-aminomethylphenol, NSC-127870, 2-Aminomethyl-phenol, 696R5N4NRM, EINECS 213-249-7, MFCD00870498, NSC 127870, DTXSID70902921, Salicylamine, CHEMBL3114402, o-aminomethylphenol, EINECS 256-534-1, o-hydroxy-benzylamine, 2-Hydroxybenzyl amine, Phenol,(aminomethyl)-, 2-(aminomethyl)-phenol, phenol, 2-aminomethyl-, UNII-696R5N4NRM, 2-hydroxybenzylamine, (2-hydroxyphenyl)methylamine, SCHEMBL110156, CHEMBL155572, DTXCID40869835, 2-(aminomethyl)phenol, AldrichCPR, CS-D1655, STR07386, BDBM50446752, NSC127870, AKOS000126449, DB14855, FH24316, MB01565, PS-3546, AC-30803, HY-34350, SY018673, DB-079497, DB-257882, NS00042240, EN300-64465, a-Amino-o-cresol, 2-(Aminomethyl)phenol, 2-Hydroxybenzenemethanamine, 213-249-7 |
|---|---|
| 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 | NCcccccc6O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylmethylamines |
| 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 |
| Iupac Name | 2-(aminomethyl)phenol |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H9NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KPRZOPQOBJRYSW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.1428571428571428 |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-hydroxybenzylamine |
| Esol Class | Very soluble |
| Functional Groups | CN, cO |
| Compound Name | 2-(Aminomethyl)phenol |
| 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 | -1.3332439333333332 |
| Inchi | InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2 |
| Smiles | C1=CC=C(C(=C1)CN)O |
| 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 Fagopyrum Esculentum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Populus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Reseda Odorata (Plant) Rel Props:Reference:ISBN:9788185042084 - 4. Outgoing r'ship
FOUND_INto/from Salix Babylonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Viburnum Prunifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all