3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide

C16H18N2O2 — CID 115904619

IUPAC3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide
SMILESCc1cccc(CNCc2cccc(C(N)=O)c2)c1O
InChIInChI=1S/C16H18N2O2/c1-11-4-2-7-14(15(11)19)10-18-9-12-5-3-6-13(8-12)16(17)20/h2-8,18-19H,9-10H2,1H3,(H2,17,20)
InChIKeyHVKUHRUCFRBHGY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.09
Rot. Bonds5

About 3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide

3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide (PubChem CID 115904619) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide
PubChem CID115904619
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide
SMILESCc1cccc(CNCc2cccc(C(N)=O)c2)c1O
InChIInChI=1S/C16H18N2O2/c1-11-4-2-7-14(15(11)19)10-18-9-12-5-3-6-13(8-12)16(17)20/h2-8,18-19H,9-10H2,1H3,(H2,17,20)
InChIKeyHVKUHRUCFRBHGY-UHFFFAOYSA-N
XLogP2.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]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

3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
CID 43664707
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
CID 114479786
N'-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]benzenecarboximidamide
CID 77028839
3-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 28583702
3-[(2,4,6-trimethylanilino)methyl]benzamide
CID 63276989
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43566996

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide?
The IUPAC name of 3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide (CID 115904619) is 3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide is Cc1cccc(CNCc2cccc(C(N)=O)c2)c1O.
What is the InChIKey of 3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide?
The InChIKey is HVKUHRUCFRBHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-4-2-7-14(15(11)19)10-18-9-12-5-3-6-13(8-12)16(17)20/h2-8,18-19H,9-10H2,1H3,(H2,17,20).
What are the key properties of 3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide?
3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide is sourced from PubChem (CID 115904619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).