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

C16H20N2 — CID 117041448

IUPAC1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCNc1ccc(N(C)Cc2ccccc2C)cc1
InChIInChI=1S/C16H20N2/c1-13-6-4-5-7-14(13)12-18(3)16-10-8-15(17-2)9-11-16/h4-11,17H,12H2,1-3H3
InChIKeyLOZBYSDGLUXWGS-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.67
Rot. Bonds4

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

1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine (PubChem CID 117041448) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
PubChem CID117041448
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCNc1ccc(N(C)Cc2ccccc2C)cc1
InChIInChI=1S/C16H20N2/c1-13-6-4-5-7-14(13)12-18(3)16-10-8-15(17-2)9-11-16/h4-11,17H,12H2,1-3H3
InChIKeyLOZBYSDGLUXWGS-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 28894681
1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine
CID 117041457
1-N,2-N,3-trimethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 144839096
N-methyl-N-[(2-methylphenyl)methyl]furan-2-amine
CID 118704997
N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
CID 115212839
1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 117041417
4-[methyl-[(2-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62491987
2-bromo-4-[methyl-[(2-methylphenyl)methyl]amino]benzoic acid
CID 107281987
6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 83123075
4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine
CID 113367573
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine (CID 117041448) is 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine is CNc1ccc(N(C)Cc2ccccc2C)cc1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is LOZBYSDGLUXWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-6-4-5-7-14(13)12-18(3)16-10-8-15(17-2)9-11-16/h4-11,17H,12H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 117041448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).