4-chloro-2-(4-cyclohexylphenyl)aniline

C18H20ClN — CID 81275663

IUPAC4-chloro-2-(4-cyclohexylphenyl)aniline
SMILESNc1ccc(Cl)cc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H20ClN/c19-16-10-11-18(20)17(12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5,20H2
InChIKeyNVYBHFCTTSCPBX-UHFFFAOYSA-N
MW285.82 g/mol
LogP5.64
Rot. Bonds2

About 4-chloro-2-(4-cyclohexylphenyl)aniline

4-chloro-2-(4-cyclohexylphenyl)aniline (PubChem CID 81275663) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 4-chloro-2-(4-cyclohexylphenyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(4-cyclohexylphenyl)aniline
PubChem CID81275663
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name4-chloro-2-(4-cyclohexylphenyl)aniline
SMILESNc1ccc(Cl)cc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H20ClN/c19-16-10-11-18(20)17(12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5,20H2
InChIKeyNVYBHFCTTSCPBX-UHFFFAOYSA-N
XLogP5.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.64
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 4-chloro-2-(4-cyclohexylphenyl)aniline?
The IUPAC name of 4-chloro-2-(4-cyclohexylphenyl)aniline (CID 81275663) is 4-chloro-2-(4-cyclohexylphenyl)aniline.
What is the SMILES notation for 4-chloro-2-(4-cyclohexylphenyl)aniline?
The canonical SMILES for 4-chloro-2-(4-cyclohexylphenyl)aniline is Nc1ccc(Cl)cc1-c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-chloro-2-(4-cyclohexylphenyl)aniline?
The InChIKey is NVYBHFCTTSCPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c19-16-10-11-18(20)17(12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5,20H2.
What are the key properties of 4-chloro-2-(4-cyclohexylphenyl)aniline?
4-chloro-2-(4-cyclohexylphenyl)aniline has a molecular weight of 285.82 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-cyclohexylphenyl)aniline is sourced from PubChem (CID 81275663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).