4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline

C30H37N — CID 70181441

IUPAC4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline
SMILESCCCCc1ccc(CC2CCC(c3ccc(Cc4ccc(N)cc4)cc3)CC2)cc1
InChIInChI=1S/C30H37N/c1-2-3-4-23-5-7-24(8-6-23)21-25-9-15-28(16-10-25)29-17-11-26(12-18-29)22-27-13-19-30(31)20-14-27/h5-8,11-14,17-20,25,28H,2-4,9-10,15-16,21-22,31H2,1H3
InChIKeyLURGZEHWLKUURY-UHFFFAOYSA-N
MW411.63 g/mol
LogP7.72
Rot. Bonds8

About 4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline

4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline (PubChem CID 70181441) has the molecular formula C30H37N and a molecular weight of 411.63 g/mol. Its IUPAC name is 4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline
PubChem CID70181441
Molecular FormulaC30H37N
Molecular Weight411.63 g/mol
Exact Mass411.29
IUPAC Name4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline
SMILESCCCCc1ccc(CC2CCC(c3ccc(Cc4ccc(N)cc4)cc3)CC2)cc1
InChIInChI=1S/C30H37N/c1-2-3-4-23-5-7-24(8-6-23)21-25-9-15-28(16-10-25)29-17-11-26(12-18-29)22-27-13-19-30(31)20-14-27/h5-8,11-14,17-20,25,28H,2-4,9-10,15-16,21-22,31H2,1H3
InChIKeyLURGZEHWLKUURY-UHFFFAOYSA-N
XLogP7.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline
CID 70180529
4-[4-[(4-heptylphenyl)methyl]cyclohexyl]aniline
CID 70181436
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
CID 22420603
4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline
CID 67733492
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
4-[(4-octadecylphenyl)methyl]aniline
CID 67687267
1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
CID 71773137
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline?
The IUPAC name of 4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline (CID 70181441) is 4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline.
What is the SMILES notation for 4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline?
The canonical SMILES for 4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline is CCCCc1ccc(CC2CCC(c3ccc(Cc4ccc(N)cc4)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline?
The InChIKey is LURGZEHWLKUURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N/c1-2-3-4-23-5-7-24(8-6-23)21-25-9-15-28(16-10-25)29-17-11-26(12-18-29)22-27-13-19-30(31)20-14-27/h5-8,11-14,17-20,25,28H,2-4,9-10,15-16,21-22,31H2,1H3.
What are the key properties of 4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline?
4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline has a molecular weight of 411.63 g/mol, XLogP of 7.72, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline is sourced from PubChem (CID 70181441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).