2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline

C24H38FN — CID 145234992

IUPAC2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline
SMILESCCCCCC1CCC(C2CCC(c3ccc(NC)c(F)c3)CC2)CC1
InChIInChI=1S/C24H38FN/c1-3-4-5-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)22-15-16-24(26-2)23(25)17-22/h15-21,26H,3-14H2,1-2H3
InChIKeyDJKDUWAXKVMGGB-UHFFFAOYSA-N
MW359.57 g/mol
LogP7.53
Rot. Bonds7

About 2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline

2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline (PubChem CID 145234992) has the molecular formula C24H38FN and a molecular weight of 359.57 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline
PubChem CID145234992
Molecular FormulaC24H38FN
Molecular Weight359.57 g/mol
Exact Mass359.30
IUPAC Name2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline
SMILESCCCCCC1CCC(C2CCC(c3ccc(NC)c(F)c3)CC2)CC1
InChIInChI=1S/C24H38FN/c1-3-4-5-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)22-15-16-24(26-2)23(25)17-22/h15-21,26H,3-14H2,1-2H3
InChIKeyDJKDUWAXKVMGGB-UHFFFAOYSA-N
XLogP7.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.57
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]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-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 145235108
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-2-methylbenzene
CID 126551441
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
2-fluoro-1-iodo-4-(4-pentylcyclohexyl)benzene
CID 59592418
1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
CID 139763396
1-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139763400
1,2,3-trifluoro-5-[4-[3-(4-pentylcyclohexyl)propyl]cyclohexyl]benzene
CID 139725203
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline (CID 145234992) is 2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline is CCCCCC1CCC(C2CCC(c3ccc(NC)c(F)c3)CC2)CC1.
What is the InChIKey of 2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline?
The InChIKey is DJKDUWAXKVMGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38FN/c1-3-4-5-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)22-15-16-24(26-2)23(25)17-22/h15-21,26H,3-14H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline?
2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline has a molecular weight of 359.57 g/mol, XLogP of 7.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline is sourced from PubChem (CID 145234992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).