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

C17H22N2 — CID 117041406

IUPAC1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine
SMILESCNc1ccc(N(C)c2ccc(C)c(C)c2C)cc1
InChIInChI=1S/C17H22N2/c1-12-6-11-17(14(3)13(12)2)19(5)16-9-7-15(18-4)8-10-16/h6-11,18H,1-5H3
InChIKeyRCBHJTPLHYKINM-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.42
Rot. Bonds3

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

1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine (PubChem CID 117041406) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine
PubChem CID117041406
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine
SMILESCNc1ccc(N(C)c2ccc(C)c(C)c2C)cc1
InChIInChI=1S/C17H22N2/c1-12-6-11-17(14(3)13(12)2)19(5)16-9-7-15(18-4)8-10-16/h6-11,18H,1-5H3
InChIKeyRCBHJTPLHYKINM-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029058
N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline
CID 117041651
1-N,4-N-dimethyl-4-N-[4-(methylamino)phenyl]benzene-1,4-diamine
CID 21331414
4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029080
1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine
CID 117041371
1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine
CID 117041457
1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 57314003
N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline
CID 163804282
4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029083
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine
CID 143018944
4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117041404

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine (CID 117041406) is 1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine is CNc1ccc(N(C)c2ccc(C)c(C)c2C)cc1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine?
The InChIKey is RCBHJTPLHYKINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-6-11-17(14(3)13(12)2)19(5)16-9-7-15(18-4)8-10-16/h6-11,18H,1-5H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine?
1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine has a molecular weight of 254.38 g/mol, XLogP of 4.42, 3 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)benzene-1,4-diamine is sourced from PubChem (CID 117041406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).