1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine

C18H24N2 — CID 117041457

IUPAC1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine
SMILESCNc1ccc(N(C)Cc2ccc(C)c(C)c2C)cc1
InChIInChI=1S/C18H24N2/c1-13-6-7-16(15(3)14(13)2)12-20(5)18-10-8-17(19-4)9-11-18/h6-11,19H,12H2,1-5H3
InChIKeyWVCHZHWMQXPWNG-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.29
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine

1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine (PubChem CID 117041457) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine
PubChem CID117041457
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine
SMILESCNc1ccc(N(C)Cc2ccc(C)c(C)c2C)cc1
InChIInChI=1S/C18H24N2/c1-13-6-7-16(15(3)14(13)2)12-20(5)18-10-8-17(19-4)9-11-18/h6-11,19H,12H2,1-5H3
InChIKeyWVCHZHWMQXPWNG-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.29
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

1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine
CID 117041145
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 117041448
1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine
CID 117041406
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029041
3-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]propanoic acid
CID 115218318
2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine
CID 115126395
4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
CID 115212693
methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate
CID 115190697
1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 117041417
1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine
CID 117041371

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine (CID 117041457) is 1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine is CNc1ccc(N(C)Cc2ccc(C)c(C)c2C)cc1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is WVCHZHWMQXPWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-6-7-16(15(3)14(13)2)12-20(5)18-10-8-17(19-4)9-11-18/h6-11,19H,12H2,1-5H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine?
1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.29, 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-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 117041457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).