4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine

C28H31N5 — CID 146168027

IUPAC4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESCN(C)c1ccc(-c2ccc(NCCc3ccccn3)c(NCCc3ccccn3)c2)cc1
InChIInChI=1S/C28H31N5/c1-33(2)26-12-9-22(10-13-26)23-11-14-27(31-19-15-24-7-3-5-17-29-24)28(21-23)32-20-16-25-8-4-6-18-30-25/h3-14,17-18,21,31-32H,15-16,19-20H2,1-2H3
InChIKeyNOGJPHYCNLUZGF-UHFFFAOYSA-N
MW437.59 g/mol
LogP5.52
Rot. Bonds10

About 4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine

4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine (PubChem CID 146168027) has the molecular formula C28H31N5 and a molecular weight of 437.59 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine
PubChem CID146168027
Molecular FormulaC28H31N5
Molecular Weight437.59 g/mol
Exact Mass437.26
IUPAC Name4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESCN(C)c1ccc(-c2ccc(NCCc3ccccn3)c(NCCc3ccccn3)c2)cc1
InChIInChI=1S/C28H31N5/c1-33(2)26-12-9-22(10-13-26)23-11-14-27(31-19-15-24-7-3-5-17-29-24)28(21-23)32-20-16-25-8-4-6-18-30-25/h3-14,17-18,21,31-32H,15-16,19-20H2,1-2H3
InChIKeyNOGJPHYCNLUZGF-UHFFFAOYSA-N
XLogP5.52
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
CID 54952691
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767
2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 23104828
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111793206
4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
4-chloro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 28902081
2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60721568
4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline
CID 60864182
4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine (CID 146168027) is 4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine is CN(C)c1ccc(-c2ccc(NCCc3ccccn3)c(NCCc3ccccn3)c2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The InChIKey is NOGJPHYCNLUZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5/c1-33(2)26-12-9-22(10-13-26)23-11-14-27(31-19-15-24-7-3-5-17-29-24)28(21-23)32-20-16-25-8-4-6-18-30-25/h3-14,17-18,21,31-32H,15-16,19-20H2,1-2H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine?
4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine has a molecular weight of 437.59 g/mol, XLogP of 5.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 146168027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).