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

C17H20N2O — CID 62002753

IUPAC3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
SMILESCc1ccc(N(C)C(=O)c2cccc(CN)c2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-7-8-16(13(2)9-12)19(3)17(20)15-6-4-5-14(10-15)11-18/h4-10H,11,18H2,1-3H3
InChIKeyURFYSYZPZCFAHB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.04
Rot. Bonds3

About 3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide

3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide (PubChem CID 62002753) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
PubChem CID62002753
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
SMILESCc1ccc(N(C)C(=O)c2cccc(CN)c2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-7-8-16(13(2)9-12)19(3)17(20)15-6-4-5-14(10-15)11-18/h4-10H,11,18H2,1-3H3
InChIKeyURFYSYZPZCFAHB-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

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Related Compounds

4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide
CID 115161228
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-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001405
2-amino-N-(2,4-dimethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161286
2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 62500171
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695114
4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 81308269
N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide
CID 60537681
N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
CID 43275421
6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 103874287

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide?
The IUPAC name of 3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide (CID 62002753) is 3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide is Cc1ccc(N(C)C(=O)c2cccc(CN)c2)c(C)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide?
The InChIKey is URFYSYZPZCFAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-7-8-16(13(2)9-12)19(3)17(20)15-6-4-5-14(10-15)11-18/h4-10H,11,18H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide?
3-(aminomethyl)-N-(2,4-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 3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 62002753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).