2-(Methylamino)benzaldehyde
PubChem CID: 267569
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| Compound Synonyms | 2-(methylamino)benzaldehyde, 7755-70-6, MFCD19216814, DTXSID30296015, 2-(methylamino)-benzaldehyde, NSC106926, methylaminobenzaldehyde, N-methylaminobenzaldehyde, 2-Methylamino-benzaldehyde, SCHEMBL874034, SCHEMBL19726078, DTXCID80247153, LIZGLUQDMOJDMM-UHFFFAOYSA-N, AKOS006347239, CS-W021444, DS-6317, NSC-106926, SY114411, DB-354974, EN300-332093, O10528, Z1203730947, 837-326-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | O=Ccccccc6NC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoyl derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(methylamino)benzaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H9NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | LIZGLUQDMOJDMM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-(methylamino)benzaldehyde |
| Esol Class | Soluble |
| Functional Groups | cC=O, cNC |
| Compound Name | 2-(Methylamino)benzaldehyde |
| Exact Mass | 135.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 135.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 135.16 |
| 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 |
| Inchi | InChI=1S/C8H9NO/c1-9-8-5-3-2-4-7(8)6-10/h2-6,9H,1H3 |
| Smiles | CNC1=CC=CC=C1C=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643741