2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine

C13H17ClFN — CID 82084820

IUPAC2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine
SMILESNCCC1(c2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C13H17ClFN/c14-10-4-3-5-11(15)12(10)13(8-9-16)6-1-2-7-13/h3-5H,1-2,6-9,16H2
InChIKeyLOFJGIXQICVUIR-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.64
Rot. Bonds3

About 2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine

2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine (PubChem CID 82084820) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine
PubChem CID82084820
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine
SMILESNCCC1(c2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C13H17ClFN/c14-10-4-3-5-11(15)12(10)13(8-9-16)6-1-2-7-13/h3-5H,1-2,6-9,16H2
InChIKeyLOFJGIXQICVUIR-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
CID 82080099
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108
2-(2-chloro-6-fluorophenyl)spiro[3.3]heptan-2-amine
CID 65009703
2-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 155970926
1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate
CID 7678896
1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone
CID 82292861
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976
2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline
CID 117384952
2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine
CID 83823340
[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol
CID 79134631

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine?
The IUPAC name of 2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine (CID 82084820) is 2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine.
What is the SMILES notation for 2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine?
The canonical SMILES for 2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine is NCCC1(c2c(F)cccc2Cl)CCCC1.
What is the InChIKey of 2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine?
The InChIKey is LOFJGIXQICVUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-10-4-3-5-11(15)12(10)13(8-9-16)6-1-2-7-13/h3-5H,1-2,6-9,16H2.
What are the key properties of 2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine?
2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine has a molecular weight of 241.74 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine is sourced from PubChem (CID 82084820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).