4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine

C30H48FN — CID 145235108

IUPAC4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine
SMILESCCCCCC1CCC(c2ccc(C3CCC(C4CCC(NC)CC4)CC3)cc2F)CC1
InChIInChI=1S/C30H48FN/c1-3-4-5-6-22-7-9-26(10-8-22)29-20-17-27(21-30(29)31)25-13-11-23(12-14-25)24-15-18-28(32-2)19-16-24/h17,20-26,28,32H,3-16,18-19H2,1-2H3
InChIKeyYZPBFPPEHFDXBY-UHFFFAOYSA-N
MW441.72 g/mol
LogP8.73
Rot. Bonds8

About 4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine

4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine (PubChem CID 145235108) has the molecular formula C30H48FN and a molecular weight of 441.72 g/mol. Its IUPAC name is 4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine
PubChem CID145235108
Molecular FormulaC30H48FN
Molecular Weight441.72 g/mol
Exact Mass441.38
IUPAC Name4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine
SMILESCCCCCC1CCC(c2ccc(C3CCC(C4CCC(NC)CC4)CC3)cc2F)CC1
InChIInChI=1S/C30H48FN/c1-3-4-5-6-22-7-9-26(10-8-22)29-20-17-27(21-30(29)31)25-13-11-23(12-14-25)24-15-18-28(32-2)19-16-24/h17,20-26,28,32H,3-16,18-19H2,1-2H3
InChIKeyYZPBFPPEHFDXBY-UHFFFAOYSA-N
XLogP8.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.72
LogP ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine 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

2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
2-fluoro-4-(4-methoxycyclohexyl)-1-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 139457155
N-[4-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245752
N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide
CID 135214922
1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol
CID 135218652
2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline
CID 145234992
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]benzene
CID 66824344
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
2-fluoro-1-[4-(4-nonylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 139779219
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine (CID 145235108) is 4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine is CCCCCC1CCC(c2ccc(C3CCC(C4CCC(NC)CC4)CC3)cc2F)CC1.
What is the InChIKey of 4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine?
The InChIKey is YZPBFPPEHFDXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48FN/c1-3-4-5-6-22-7-9-26(10-8-22)29-20-17-27(21-30(29)31)25-13-11-23(12-14-25)24-15-18-28(32-2)19-16-24/h17,20-26,28,32H,3-16,18-19H2,1-2H3.
What are the key properties of 4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine?
4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine has a molecular weight of 441.72 g/mol, XLogP of 8.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 145235108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).