2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine

C17H25ClFN — CID 107188245

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)C1CCCC1(C)C
InChIInChI=1S/C17H25ClFN/c1-4-20-16(14-6-5-9-17(14,2)3)10-12-7-8-13(19)11-15(12)18/h7-8,11,14,16,20H,4-6,9-10H2,1-3H3
InChIKeyLNEVUNJOJUQHLH-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.83
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine

2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine (PubChem CID 107188245) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
PubChem CID107188245
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)C1CCCC1(C)C
InChIInChI=1S/C17H25ClFN/c1-4-20-16(14-6-5-9-17(14,2)3)10-12-7-8-13(19)11-15(12)18/h7-8,11,14,16,20H,4-6,9-10H2,1-3H3
InChIKeyLNEVUNJOJUQHLH-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

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Related Compounds

2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107179470
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107191840
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80626521
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107190805
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177374
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine (CID 107188245) is 2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine is CCNC(Cc1ccc(F)cc1Cl)C1CCCC1(C)C.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The InChIKey is LNEVUNJOJUQHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-4-20-16(14-6-5-9-17(14,2)3)10-12-7-8-13(19)11-15(12)18/h7-8,11,14,16,20H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
2-(2-chloro-4-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-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine is sourced from PubChem (CID 107188245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).