4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline

C25H35N — CID 70180529

IUPAC4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline
SMILESCCCCCCc1ccc(CC2CCC(c3ccc(N)cc3)CC2)cc1
InChIInChI=1S/C25H35N/c1-2-3-4-5-6-20-7-9-21(10-8-20)19-22-11-13-23(14-12-22)24-15-17-25(26)18-16-24/h7-10,15-18,22-23H,2-6,11-14,19,26H2,1H3
InChIKeyLKSCIMOVRPYSIY-UHFFFAOYSA-N
MW349.56 g/mol
LogP6.91
Rot. Bonds8

About 4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline

4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline (PubChem CID 70180529) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is 4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline.

Molecular Properties

Compound Name4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline
PubChem CID70180529
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline
SMILESCCCCCCc1ccc(CC2CCC(c3ccc(N)cc3)CC2)cc1
InChIInChI=1S/C25H35N/c1-2-3-4-5-6-20-7-9-21(10-8-20)19-22-11-13-23(14-12-22)24-15-17-25(26)18-16-24/h7-10,15-18,22-23H,2-6,11-14,19,26H2,1H3
InChIKeyLKSCIMOVRPYSIY-UHFFFAOYSA-N
XLogP6.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(4-heptylphenyl)methyl]cyclohexyl]aniline
CID 70181436
4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline
CID 70181441
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline
CID 67733492
4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-[(4-hexylphenyl)methyl]cyclohexyl]phenyl]ethyl]aniline
CID 159333075
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline?
The IUPAC name of 4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline (CID 70180529) is 4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline.
What is the SMILES notation for 4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline?
The canonical SMILES for 4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline is CCCCCCc1ccc(CC2CCC(c3ccc(N)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline?
The InChIKey is LKSCIMOVRPYSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N/c1-2-3-4-5-6-20-7-9-21(10-8-20)19-22-11-13-23(14-12-22)24-15-17-25(26)18-16-24/h7-10,15-18,22-23H,2-6,11-14,19,26H2,1H3.
What are the key properties of 4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline?
4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline has a molecular weight of 349.56 g/mol, XLogP of 6.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline is sourced from PubChem (CID 70180529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).