2-chloro-4-cyclohexylaniline

C12H16ClN — CID 18451501

IUPAC2-chloro-4-cyclohexylaniline
SMILESNc1ccc(C2CCCCC2)cc1Cl
InChIInChI=1S/C12H16ClN/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9H,1-5,14H2
InChIKeyIKCSQPICSCUVTM-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.97
Rot. Bonds1

About 2-chloro-4-cyclohexylaniline

2-chloro-4-cyclohexylaniline (PubChem CID 18451501) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-chloro-4-cyclohexylaniline.

Molecular Properties

Compound Name2-chloro-4-cyclohexylaniline
PubChem CID18451501
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-chloro-4-cyclohexylaniline
SMILESNc1ccc(C2CCCCC2)cc1Cl
InChIInChI=1S/C12H16ClN/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9H,1-5,14H2
InChIKeyIKCSQPICSCUVTM-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclohexylaniline?
The IUPAC name of 2-chloro-4-cyclohexylaniline (CID 18451501) is 2-chloro-4-cyclohexylaniline.
What is the SMILES notation for 2-chloro-4-cyclohexylaniline?
The canonical SMILES for 2-chloro-4-cyclohexylaniline is Nc1ccc(C2CCCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-cyclohexylaniline?
The InChIKey is IKCSQPICSCUVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9H,1-5,14H2.
What are the key properties of 2-chloro-4-cyclohexylaniline?
2-chloro-4-cyclohexylaniline has a molecular weight of 209.72 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclohexylaniline is sourced from PubChem (CID 18451501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).