2-(4-cyclohexylphenyl)-4-methylaniline

C19H23N — CID 63424368

IUPAC2-(4-cyclohexylphenyl)-4-methylaniline
SMILESCc1ccc(N)c(-c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C19H23N/c1-14-7-12-19(20)18(13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h7-13,15H,2-6,20H2,1H3
InChIKeyZZBHAEKQXUHYCU-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.29
Rot. Bonds2

About 2-(4-cyclohexylphenyl)-4-methylaniline

2-(4-cyclohexylphenyl)-4-methylaniline (PubChem CID 63424368) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-4-methylaniline.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-4-methylaniline
PubChem CID63424368
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name2-(4-cyclohexylphenyl)-4-methylaniline
SMILESCc1ccc(N)c(-c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C19H23N/c1-14-7-12-19(20)18(13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h7-13,15H,2-6,20H2,1H3
InChIKeyZZBHAEKQXUHYCU-UHFFFAOYSA-N
XLogP5.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.29
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-(4-cyclohexylphenyl)-4-methylaniline?
The IUPAC name of 2-(4-cyclohexylphenyl)-4-methylaniline (CID 63424368) is 2-(4-cyclohexylphenyl)-4-methylaniline.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-4-methylaniline?
The canonical SMILES for 2-(4-cyclohexylphenyl)-4-methylaniline is Cc1ccc(N)c(-c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-4-methylaniline?
The InChIKey is ZZBHAEKQXUHYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14-7-12-19(20)18(13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h7-13,15H,2-6,20H2,1H3.
What are the key properties of 2-(4-cyclohexylphenyl)-4-methylaniline?
2-(4-cyclohexylphenyl)-4-methylaniline has a molecular weight of 265.40 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-4-methylaniline is sourced from PubChem (CID 63424368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).