[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine

C12H14ClF2N — CID 117366660

IUPAC[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2c(F)cc(Cl)cc2F)CCCC1
InChIInChI=1S/C12H14ClF2N/c13-8-5-9(14)11(10(15)6-8)12(7-16)3-1-2-4-12/h5-6H,1-4,7,16H2
InChIKeyHMXYFMOBPNYCLF-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.39
Rot. Bonds2

About [1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine

[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine (PubChem CID 117366660) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is [1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
PubChem CID117366660
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2c(F)cc(Cl)cc2F)CCCC1
InChIInChI=1S/C12H14ClF2N/c13-8-5-9(14)11(10(15)6-8)12(7-16)3-1-2-4-12/h5-6H,1-4,7,16H2
InChIKeyHMXYFMOBPNYCLF-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-chloro-2,6-difluorophenyl)cyclopropyl]methanamine
CID 117310224
4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
CID 84791406
[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
CID 117492969
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine
CID 117343836
[1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine
CID 117113496
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
[1-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine (CID 117366660) is [1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine is NCC1(c2c(F)cc(Cl)cc2F)CCCC1.
What is the InChIKey of [1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine?
The InChIKey is HMXYFMOBPNYCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-8-5-9(14)11(10(15)6-8)12(7-16)3-1-2-4-12/h5-6H,1-4,7,16H2.
What are the key properties of [1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine?
[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine has a molecular weight of 245.70 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117366660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).