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

C16H25ClN2 — CID 64762878

IUPAC2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCC1CCC(Nc2ccc(N(C)C)c(Cl)c2)C(C)C1
InChIInChI=1S/C16H25ClN2/c1-11-5-7-15(12(2)9-11)18-13-6-8-16(19(3)4)14(17)10-13/h6,8,10-12,15,18H,5,7,9H2,1-4H3
InChIKeyONALVAXWQJESLW-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.64
Rot. Bonds3

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

2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 64762878) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID64762878
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCC1CCC(Nc2ccc(N(C)C)c(Cl)c2)C(C)C1
InChIInChI=1S/C16H25ClN2/c1-11-5-7-15(12(2)9-11)18-13-6-8-16(19(3)4)14(17)10-13/h6,8,10-12,15,18H,5,7,9H2,1-4H3
InChIKeyONALVAXWQJESLW-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine
CID 63451308
2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine
CID 104860241
2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451177
4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64761788
4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 64762403
2-chloro-1-N,1-N-dimethyl-4-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,4-diamine
CID 63451178
2-chloro-1-N,1-N-dimethyl-4-N-(2-methylsulfonylcyclopentyl)benzene-1,4-diamine
CID 65046253
N-(2,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64775359
4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline
CID 64776351
2-chloro-1-N,1-N-dimethyl-4-N-(oxolan-3-yl)benzene-1,4-diamine
CID 63335531
2-chloro-1-N,1-N-dimethyl-4-N-(2-pyrrolidin-2-ylcyclopentyl)benzene-1,4-diamine
CID 79536895
N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 64762784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine (CID 64762878) is 2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine is CC1CCC(Nc2ccc(N(C)C)c(Cl)c2)C(C)C1.
What is the InChIKey of 2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is ONALVAXWQJESLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-11-5-7-15(12(2)9-11)18-13-6-8-16(19(3)4)14(17)10-13/h6,8,10-12,15,18H,5,7,9H2,1-4H3.
What are the key properties of 2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine has a molecular weight of 280.84 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 64762878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).