2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine

C17H25ClFN — CID 107179470

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)C1CCCC1(C)C
InChIInChI=1S/C17H25ClFN/c1-4-20-16(13-7-6-10-17(13,2)3)11-12-14(18)8-5-9-15(12)19/h5,8-9,13,16,20H,4,6-7,10-11H2,1-3H3
InChIKeyOXONOTGCXQXUBB-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.83
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine

2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine (PubChem CID 107179470) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
PubChem CID107179470
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)C1CCCC1(C)C
InChIInChI=1S/C17H25ClFN/c1-4-20-16(13-7-6-10-17(13,2)3)11-12-14(18)8-5-9-15(12)19/h5,8-9,13,16,20H,4,6-7,10-11H2,1-3H3
InChIKeyOXONOTGCXQXUBB-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine 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-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107190805
2-(2-chloro-6-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79664378
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
CID 61079879
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105122810

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine (CID 107179470) is 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine is CCNC(Cc1c(F)cccc1Cl)C1CCCC1(C)C.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The InChIKey is OXONOTGCXQXUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-4-20-16(13-7-6-10-17(13,2)3)11-12-14(18)8-5-9-15(12)19/h5,8-9,13,16,20H,4,6-7,10-11H2,1-3H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine has a molecular weight of 297.84 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine is sourced from PubChem (CID 107179470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).