[1-(2,6-difluorophenyl)cyclopentyl]methanamine

C12H15F2N — CID 47002854

IUPAC[1-(2,6-difluorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2c(F)cccc2F)CCCC1
InChIInChI=1S/C12H15F2N/c13-9-4-3-5-10(14)11(9)12(8-15)6-1-2-7-12/h3-5H,1-2,6-8,15H2
InChIKeyOPMVQGTXUIMFNO-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.74
Rot. Bonds2

About [1-(2,6-difluorophenyl)cyclopentyl]methanamine

[1-(2,6-difluorophenyl)cyclopentyl]methanamine (PubChem CID 47002854) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is [1-(2,6-difluorophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2,6-difluorophenyl)cyclopentyl]methanamine
PubChem CID47002854
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name[1-(2,6-difluorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2c(F)cccc2F)CCCC1
InChIInChI=1S/C12H15F2N/c13-9-4-3-5-10(14)11(9)12(8-15)6-1-2-7-12/h3-5H,1-2,6-8,15H2
InChIKeyOPMVQGTXUIMFNO-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117369668
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
CID 84791406
[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
CID 117366660
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine
CID 82084820
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976
[1-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopentyl]methanamine
CID 117417446
[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
CID 117492969
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluorophenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2,6-difluorophenyl)cyclopentyl]methanamine (CID 47002854) is [1-(2,6-difluorophenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2,6-difluorophenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2,6-difluorophenyl)cyclopentyl]methanamine is NCC1(c2c(F)cccc2F)CCCC1.
What is the InChIKey of [1-(2,6-difluorophenyl)cyclopentyl]methanamine?
The InChIKey is OPMVQGTXUIMFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-9-4-3-5-10(14)11(9)12(8-15)6-1-2-7-12/h3-5H,1-2,6-8,15H2.
What are the key properties of [1-(2,6-difluorophenyl)cyclopentyl]methanamine?
[1-(2,6-difluorophenyl)cyclopentyl]methanamine has a molecular weight of 211.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluorophenyl)cyclopentyl]methanamine is sourced from PubChem (CID 47002854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).