1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine

C18H24N2 — CID 117041371

IUPAC1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine
SMILESCNc1ccc(N(C)c2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C18H24N2/c1-12-11-13(2)15(4)18(14(12)3)20(6)17-9-7-16(19-5)8-10-17/h7-11,19H,1-6H3
InChIKeyKPKGNJYJECDQML-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.73
Rot. Bonds3

About 1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine

1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine (PubChem CID 117041371) 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-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine
PubChem CID117041371
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine
SMILESCNc1ccc(N(C)c2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C18H24N2/c1-12-11-13(2)15(4)18(14(12)3)20(6)17-9-7-16(19-5)8-10-17/h7-11,19H,1-6H3
InChIKeyKPKGNJYJECDQML-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dimethyl-4-N-[4-(methylamino)phenyl]benzene-1,4-diamine
CID 21331414
1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine
CID 117041406
N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline
CID 163804278
N-methyl-N-(2,3,5,6-tetramethylphenyl)naphthalen-2-amine
CID 163608925
4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029058
1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 57314003
4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029080
4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029083
N,2,3,4,5,6-hexamethyl-N-(4-methylphenyl)aniline
CID 134561307
N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline
CID 163538008
N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline
CID 163804282
N,3,4,5-tetramethyl-N-(3,4,5-trimethylphenyl)aniline
CID 90348185

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine (CID 117041371) is 1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine is CNc1ccc(N(C)c2c(C)c(C)cc(C)c2C)cc1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine?
The InChIKey is KPKGNJYJECDQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12-11-13(2)15(4)18(14(12)3)20(6)17-9-7-16(19-5)8-10-17/h7-11,19H,1-6H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine?
1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.73, 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-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 117041371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).