4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide

C17H20N2O — CID 115161228

IUPAC4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide
SMILESCc1ccc(C)c(N(C)C(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C17H20N2O/c1-12-4-5-13(2)16(10-12)19(3)17(20)15-8-6-14(11-18)7-9-15/h4-10H,11,18H2,1-3H3
InChIKeyRPVRZKPYRFNXDX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.04
Rot. Bonds3

About 4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide

4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide (PubChem CID 115161228) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide
PubChem CID115161228
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide
SMILESCc1ccc(C)c(N(C)C(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C17H20N2O/c1-12-4-5-13(2)16(10-12)19(3)17(20)15-8-6-14(11-18)7-9-15/h4-10H,11,18H2,1-3H3
InChIKeyRPVRZKPYRFNXDX-UHFFFAOYSA-N
XLogP3.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide 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-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 62002753
4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330
N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209286
3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide
CID 62003677
5-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 63723381
3-amino-1-(2,5-dimethylphenyl)-1-methylurea
CID 115192449
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide
CID 97235291
N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide
CID 167871653
4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
CID 75429854
4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
CID 115157531
N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62971832

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide (CID 115161228) is 4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide is Cc1ccc(C)c(N(C)C(=O)c2ccc(CN)cc2)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide?
The InChIKey is RPVRZKPYRFNXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-4-5-13(2)16(10-12)19(3)17(20)15-8-6-14(11-18)7-9-15/h4-10H,11,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide?
4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 115161228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).