2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine

C13H17F2N — CID 83823340

IUPAC2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine
SMILESNCCC1(c2cc(F)cc(F)c2)CCCC1
InChIInChI=1S/C13H17F2N/c14-11-7-10(8-12(15)9-11)13(5-6-16)3-1-2-4-13/h7-9H,1-6,16H2
InChIKeyAOYFGWYRFGBVPB-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.13
Rot. Bonds3

About 2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine

2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine (PubChem CID 83823340) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine
PubChem CID83823340
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine
SMILESNCCC1(c2cc(F)cc(F)c2)CCCC1
InChIInChI=1S/C13H17F2N/c14-11-7-10(8-12(15)9-11)13(5-6-16)3-1-2-4-13/h7-9H,1-6,16H2
InChIKeyAOYFGWYRFGBVPB-UHFFFAOYSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
2-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 155970926
[1-(3-fluoro-5-propan-2-ylphenyl)cyclopentyl]methanamine
CID 84797654
2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine
CID 164662438
N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine
CID 62595738
2-[1-(4-methylphenyl)cyclohexyl]ethanamine
CID 82079127
2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
CID 82080099
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 140624928
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine
CID 82084820
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine?
The IUPAC name of 2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine (CID 83823340) is 2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine.
What is the SMILES notation for 2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine?
The canonical SMILES for 2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine is NCCC1(c2cc(F)cc(F)c2)CCCC1.
What is the InChIKey of 2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine?
The InChIKey is AOYFGWYRFGBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-11-7-10(8-12(15)9-11)13(5-6-16)3-1-2-4-13/h7-9H,1-6,16H2.
What are the key properties of 2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine?
2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine has a molecular weight of 225.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine is sourced from PubChem (CID 83823340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).