2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine

C15H21ClFN — CID 61079872

IUPAC2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)C1CCCC1
InChIInChI=1S/C15H21ClFN/c1-2-18-15(11-6-3-4-7-11)10-12-13(16)8-5-9-14(12)17/h5,8-9,11,15,18H,2-4,6-7,10H2,1H3
InChIKeyBHVUGPKNTJRPQF-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.19
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine

2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine (PubChem CID 61079872) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
PubChem CID61079872
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)C1CCCC1
InChIInChI=1S/C15H21ClFN/c1-2-18-15(11-6-3-4-7-11)10-12-13(16)8-5-9-14(12)17/h5,8-9,11,15,18H,2-4,6-7,10H2,1H3
InChIKeyBHVUGPKNTJRPQF-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
CID 61079879
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107179470
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105122810
2-(2-chloro-6-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79664378
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine
CID 106267625
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine (CID 61079872) is 2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine is CCNC(Cc1c(F)cccc1Cl)C1CCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine?
The InChIKey is BHVUGPKNTJRPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-18-15(11-6-3-4-7-11)10-12-13(16)8-5-9-14(12)17/h5,8-9,11,15,18H,2-4,6-7,10H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine?
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine has a molecular weight of 269.79 g/mol, XLogP of 4.19, 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-cyclopentyl-N-ethylethanamine is sourced from PubChem (CID 61079872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).