4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine

C15H17ClN2 — CID 117029080

IUPAC4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C15H17ClN2/c1-11-10-12(16)4-9-15(11)18(3)14-7-5-13(17-2)6-8-14/h4-10,17H,1-3H3
InChIKeyNODTXAAOHVVCLT-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.46
Rot. Bonds3

About 4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine

4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 117029080) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID117029080
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C15H17ClN2/c1-11-10-12(16)4-9-15(11)18(3)14-7-5-13(17-2)6-8-14/h4-10,17H,1-3H3
InChIKeyNODTXAAOHVVCLT-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028957
1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine
CID 117041406
4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029058
1-N,4-N-dimethyl-4-N-[4-(methylamino)phenyl]benzene-1,4-diamine
CID 21331414
4-chloro-N,N,2-trimethylaniline;ethane
CID 143418789
1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine
CID 117041371
ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine
CID 143018944
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
4-(4-chlorophenyl)-N-methylaniline;hydrochloride
CID 137319755
5-chloro-2-(N,4-dimethylanilino)benzonitrile
CID 63511822
1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 57314003
4-chloro-N,N-diethyl-2-methylaniline
CID 57028815

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine (CID 117029080) is 4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine is CNc1ccc(N(C)c2ccc(Cl)cc2C)cc1.
What is the InChIKey of 4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is NODTXAAOHVVCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-10-12(16)4-9-15(11)18(3)14-7-5-13(17-2)6-8-14/h4-10,17H,1-3H3.
What are the key properties of 4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 260.77 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 117029080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).