2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline

C17H22N2 — CID 107105568

IUPAC2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2c(C)cccc2CN)c1
InChIInChI=1S/C17H22N2/c1-13-6-4-8-15(10-13)12-19(3)17-14(2)7-5-9-16(17)11-18/h4-10H,11-12,18H2,1-3H3
InChIKeyWAVLRYXQSSBFNI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.40
Rot. Bonds4

About 2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline

2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline (PubChem CID 107105568) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline
PubChem CID107105568
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2c(C)cccc2CN)c1
InChIInChI=1S/C17H22N2/c1-13-6-4-8-15(10-13)12-19(3)17-14(2)7-5-9-16(17)11-18/h4-10H,11-12,18H2,1-3H3
InChIKeyWAVLRYXQSSBFNI-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline 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-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 107105590
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107274760
2-(aminomethyl)-N-(furan-2-ylmethyl)-N,6-dimethylaniline
CID 107105514
3-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246098
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
CID 107105504
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide
CID 115934261
N-[[4-(aminomethyl)phenyl]methyl]-N,2,4,6-tetramethylaniline
CID 115213175
[3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine
CID 107111298
2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114879522
4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82793405
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
(3-methylphenyl)methanamine;hydrochloride
CID 18670917

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline (CID 107105568) is 2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline is Cc1cccc(CN(C)c2c(C)cccc2CN)c1.
What is the InChIKey of 2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is WAVLRYXQSSBFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-6-4-8-15(10-13)12-19(3)17-14(2)7-5-9-16(17)11-18/h4-10H,11-12,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline?
2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 107105568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).