2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide

C15H16N2O2 — CID 82546852

IUPAC2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide
SMILESCc1cc(O)ccc1NC(=O)c1ccccc1CN
InChIInChI=1S/C15H16N2O2/c1-10-8-12(18)6-7-14(10)17-15(19)13-5-3-2-4-11(13)9-16/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyXYFRPPMJJZFQRD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.41
Rot. Bonds3

About 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide

2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide (PubChem CID 82546852) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide
PubChem CID82546852
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide
SMILESCc1cc(O)ccc1NC(=O)c1ccccc1CN
InChIInChI=1S/C15H16N2O2/c1-10-8-12(18)6-7-14(10)17-15(19)13-5-3-2-4-11(13)9-16/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyXYFRPPMJJZFQRD-UHFFFAOYSA-N
XLogP2.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
3-[[2-(aminomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 82546270
2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234633
N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502622
2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide
CID 82546409
N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
CID 16772806
N-(4-acetylphenyl)-2-(aminomethyl)benzamide
CID 82546626
N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
4-amino-2-chloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 110464996
2-amino-4-bromo-N-(4-hydroxy-2-methylphenyl)benzamide
CID 79723167
2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 110475171
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide?
The IUPAC name of 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide (CID 82546852) is 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide is Cc1cc(O)ccc1NC(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide?
The InChIKey is XYFRPPMJJZFQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-8-12(18)6-7-14(10)17-15(19)13-5-3-2-4-11(13)9-16/h2-8,18H,9,16H2,1H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide?
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide has a molecular weight of 256.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide is sourced from PubChem (CID 82546852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).