4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine

C13H19ClN2 — CID 117027455

IUPAC4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyKNEPAKUOPKJHLP-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.28
Rot. Bonds3

About 4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine

4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine (PubChem CID 117027455) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
PubChem CID117027455
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyKNEPAKUOPKJHLP-UHFFFAOYSA-N
XLogP3.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine (CID 117027455) is 4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine is CNC1CCC(Nc2ccccc2Cl)CC1.
What is the InChIKey of 4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is KNEPAKUOPKJHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3.
What are the key properties of 4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine?
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 238.76 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 117027455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).