1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine

C18H22N2 — CID 170143684

IUPAC1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine
SMILESC=C(Nc1ccc(NC)cc1C)c1cc(C)ccc1C
InChIInChI=1S/C18H22N2/c1-12-6-7-13(2)17(10-12)15(4)20-18-9-8-16(19-5)11-14(18)3/h6-11,19-20H,4H2,1-3,5H3
InChIKeyHJWXKZBCQDYLQK-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.74
Rot. Bonds4

About 1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine

1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine (PubChem CID 170143684) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine
PubChem CID170143684
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine
SMILESC=C(Nc1ccc(NC)cc1C)c1cc(C)ccc1C
InChIInChI=1S/C18H22N2/c1-12-6-7-13(2)17(10-12)15(4)20-18-9-8-16(19-5)11-14(18)3/h6-11,19-20H,4H2,1-3,5H3
InChIKeyHJWXKZBCQDYLQK-UHFFFAOYSA-N
XLogP4.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol
CID 138652655
1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine
CID 166842219
[4-[1-(2-chloro-5-methylphenyl)ethenylamino]-3-methylphenyl]cyanamide
CID 138653560
1-N-[1-[2-chloro-5-(methylamino)phenyl]ethenyl]-2-methylbenzene-1,4-diamine
CID 138653541
N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline
CID 138651987
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-[1-[5-[[4,4-dichloro-3-(3-fluoro-4-methylphenyl)pent-1-en-2-yl]amino]-2-methylphenyl]ethenyl]-2-fluoro-4-methylaniline
CID 138652915
2,4-dihydroxy-N-[2-methyl-4-(methylamino)phenyl]benzamide
CID 143020352
(3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine
CID 59957618
N-(3-bromo-4-methylphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108986806
N,2,4-trimethylaniline;hydrochloride
CID 18686602
N-(4-cyanophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515416

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine (CID 170143684) is 1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine is C=C(Nc1ccc(NC)cc1C)c1cc(C)ccc1C.
What is the InChIKey of 1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine?
The InChIKey is HJWXKZBCQDYLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-12-6-7-13(2)17(10-12)15(4)20-18-9-8-16(19-5)11-14(18)3/h6-11,19-20H,4H2,1-3,5H3.
What are the key properties of 1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine?
1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine has a molecular weight of 266.39 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 170143684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).