3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide

C16H18N2O — CID 129059199

IUPAC3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide
SMILESCc1ccc(Cc2cccc(C(N)=O)c2)c(CN)c1
InChIInChI=1S/C16H18N2O/c1-11-5-6-13(15(7-11)10-17)8-12-3-2-4-14(9-12)16(18)19/h2-7,9H,8,10,17H2,1H3,(H2,18,19)
InChIKeyWQDDUPXZSBNMPS-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.14
Rot. Bonds4

About 3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide

3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide (PubChem CID 129059199) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide
PubChem CID129059199
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide
SMILESCc1ccc(Cc2cccc(C(N)=O)c2)c(CN)c1
InChIInChI=1S/C16H18N2O/c1-11-5-6-13(15(7-11)10-17)8-12-3-2-4-14(9-12)16(18)19/h2-7,9H,8,10,17H2,1H3,(H2,18,19)
InChIKeyWQDDUPXZSBNMPS-UHFFFAOYSA-N
XLogP2.14
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[2-(aminomethyl)-4-methylphenyl]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-benzylbenzamide;hydrochloride
CID 159409318
3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide
CID 81193096
3-ethyl-5-[(3-methylphenyl)methyl]benzamide
CID 175279696
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
3-[(2-methoxy-5-methylphenyl)methyl]benzoic acid
CID 116927115
3-[(2-bromo-4-methylphenoxy)methyl]benzamide
CID 28602474
3-methylbenzamide;2-methylpropane
CID 160767336
3-(sulfanylmethyl)benzamide
CID 118350806
3-(2-methylpropyl)benzamide
CID 23130390
argon;ethane;3-methylbenzamide;molecular hydrogen
CID 144862945
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
CID 43664706
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide?
The IUPAC name of 3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide (CID 129059199) is 3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide?
The canonical SMILES for 3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide is Cc1ccc(Cc2cccc(C(N)=O)c2)c(CN)c1.
What is the InChIKey of 3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide?
The InChIKey is WQDDUPXZSBNMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-5-6-13(15(7-11)10-17)8-12-3-2-4-14(9-12)16(18)19/h2-7,9H,8,10,17H2,1H3,(H2,18,19).
What are the key properties of 3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide?
3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide has a molecular weight of 254.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide is sourced from PubChem (CID 129059199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).