N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine

C20H29ClFN — CID 175832695

IUPACN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine
SMILESCN(CCC1CCC(c2ccc(F)cc2Cl)CC1)C1CCCC1
InChIInChI=1S/C20H29ClFN/c1-23(18-4-2-3-5-18)13-12-15-6-8-16(9-7-15)19-11-10-17(22)14-20(19)21/h10-11,14-16,18H,2-9,12-13H2,1H3
InChIKeySXSCEWZOPBKGQP-UHFFFAOYSA-N
MW337.91 g/mol
LogP6.02
Rot. Bonds5

About N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine

N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine (PubChem CID 175832695) has the molecular formula C20H29ClFN and a molecular weight of 337.91 g/mol. Its IUPAC name is N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine
PubChem CID175832695
Molecular FormulaC20H29ClFN
Molecular Weight337.91 g/mol
Exact Mass337.20
IUPAC NameN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine
SMILESCN(CCC1CCC(c2ccc(F)cc2Cl)CC1)C1CCCC1
InChIInChI=1S/C20H29ClFN/c1-23(18-4-2-3-5-18)13-12-15-6-8-16(9-7-15)19-11-10-17(22)14-20(19)21/h10-11,14-16,18H,2-9,12-13H2,1H3
InChIKeySXSCEWZOPBKGQP-UHFFFAOYSA-N
XLogP6.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.91
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine?
The IUPAC name of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine (CID 175832695) is N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine is CN(CCC1CCC(c2ccc(F)cc2Cl)CC1)C1CCCC1.
What is the InChIKey of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine?
The InChIKey is SXSCEWZOPBKGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClFN/c1-23(18-4-2-3-5-18)13-12-15-6-8-16(9-7-15)19-11-10-17(22)14-20(19)21/h10-11,14-16,18H,2-9,12-13H2,1H3.
What are the key properties of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine?
N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine has a molecular weight of 337.91 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine is sourced from PubChem (CID 175832695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).