2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine

C16H25ClN2 — CID 63451177

IUPAC2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCC1CCCC(C)C1Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-11-6-5-7-12(2)16(11)18-13-8-9-15(19(3)4)14(17)10-13/h8-12,16,18H,5-7H2,1-4H3
InChIKeyZXTKWOCQAUCKAR-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.64
Rot. Bonds3

About 2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine

2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 63451177) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID63451177
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCC1CCCC(C)C1Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-11-6-5-7-12(2)16(11)18-13-8-9-15(19(3)4)14(17)10-13/h8-12,16,18H,5-7H2,1-4H3
InChIKeyZXTKWOCQAUCKAR-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-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 64762878
2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine
CID 104860241
2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 43709780
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
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-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067583
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-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
CID 63451260
2-chloro-4-N-(1,1-dioxothiolan-3-yl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54867399
N-(2,6-dimethylcyclohexyl)-2,3-dihydro-1H-inden-5-amine
CID 43096766

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine (CID 63451177) is 2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine is CC1CCCC(C)C1Nc1ccc(N(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is ZXTKWOCQAUCKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-11-6-5-7-12(2)16(11)18-13-8-9-15(19(3)4)14(17)10-13/h8-12,16,18H,5-7H2,1-4H3.
What are the key properties of 2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
2-chloro-4-N-(2,6-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-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 63451177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).