4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine

C15H18N2 — CID 28894681

IUPAC4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1ccccc1CN(C)c1ccc(N)cc1
InChIInChI=1S/C15H18N2/c1-12-5-3-4-6-13(12)11-17(2)15-9-7-14(16)8-10-15/h3-10H,11,16H2,1-2H3
InChIKeyWFGWDLDFCGGAIA-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.21
Rot. Bonds3

About 4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine

4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine (PubChem CID 28894681) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
PubChem CID28894681
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1ccccc1CN(C)c1ccc(N)cc1
InChIInChI=1S/C15H18N2/c1-12-5-3-4-6-13(12)11-17(2)15-9-7-14(16)8-10-15/h3-10H,11,16H2,1-2H3
InChIKeyWFGWDLDFCGGAIA-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine 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

1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 117041448
4-methyl-3-[(N-methylanilino)methyl]aniline
CID 82128220
4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine
CID 28894653
4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 43658941
4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine
CID 113367573
3-N-methyl-3-N-[(2-methylphenyl)methyl]-5-nitrobenzene-1,3-diamine
CID 80794592
3-[(4-amino-N-methylanilino)methyl]-2-fluorobenzonitrile
CID 107118536
6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 83123075
4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 43458817
N-methyl-N-[(2-methylphenyl)methyl]furan-2-amine
CID 118704997
3-[methyl-[(2-methylphenyl)methyl]amino]benzenecarbothioamide
CID 62971238
3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 102813489

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine (CID 28894681) is 4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine is Cc1ccccc1CN(C)c1ccc(N)cc1.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is WFGWDLDFCGGAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-5-3-4-6-13(12)11-17(2)15-9-7-14(16)8-10-15/h3-10H,11,16H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 28894681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).