1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine

C24H28N2 — CID 143992498

IUPAC1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(C)cc(Nc2cc(C)c(C)cc2Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C24H28N2/c1-15-7-16(2)10-21(9-15)25-23-13-19(5)20(6)14-24(23)26-22-11-17(3)8-18(4)12-22/h7-14,25-26H,1-6H3
InChIKeyXWGIJCWEMXRZEO-UHFFFAOYSA-N
MW344.50 g/mol
LogP7.02
Rot. Bonds4

About 1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine

1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine (PubChem CID 143992498) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine
PubChem CID143992498
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(C)cc(Nc2cc(C)c(C)cc2Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C24H28N2/c1-15-7-16(2)10-21(9-15)25-23-13-19(5)20(6)14-24(23)26-22-11-17(3)8-18(4)12-22/h7-14,25-26H,1-6H3
InChIKeyXWGIJCWEMXRZEO-UHFFFAOYSA-N
XLogP7.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-2,3,4,5-tetramethylaniline
CID 163665843
N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline
CID 135382358
2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 56636906
1-N-(3,5-dimethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506548
3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647073
2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline
CID 152754160
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline
CID 145303163
4-(3,5-dimethylanilino)-2-methylphenol
CID 166451978
4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine
CID 121372627
3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112648174
2-chloro-6-(3,5-dimethylanilino)phenol
CID 171920442

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine (CID 143992498) is 1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine is Cc1cc(C)cc(Nc2cc(C)c(C)cc2Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine?
The InChIKey is XWGIJCWEMXRZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-15-7-16(2)10-21(9-15)25-23-13-19(5)20(6)14-24(23)26-22-11-17(3)8-18(4)12-22/h7-14,25-26H,1-6H3.
What are the key properties of 1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine?
1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine has a molecular weight of 344.50 g/mol, XLogP of 7.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 143992498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).