[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine

C14H19F2N — CID 117351233

IUPAC[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccc(CC(F)F)cc2)CCCC1
InChIInChI=1S/C14H19F2N/c15-13(16)9-11-3-5-12(6-4-11)14(10-17)7-1-2-8-14/h3-6,13H,1-2,7-10,17H2
InChIKeySYKLCGLMBRUBCE-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.26
Rot. Bonds4

About [1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine

[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine (PubChem CID 117351233) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is [1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine
PubChem CID117351233
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccc(CC(F)F)cc2)CCCC1
InChIInChI=1S/C14H19F2N/c15-13(16)9-11-3-5-12(6-4-11)14(10-17)7-1-2-8-14/h3-6,13H,1-2,7-10,17H2
InChIKeySYKLCGLMBRUBCE-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117371859
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine
CID 117408640
[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
CID 28937862
[1-(4-propylphenyl)cyclohexyl]methanamine
CID 82495619
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine
CID 115004778
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine
CID 117464200

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine (CID 117351233) is [1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine is NCC1(c2ccc(CC(F)F)cc2)CCCC1.
What is the InChIKey of [1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is SYKLCGLMBRUBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c15-13(16)9-11-3-5-12(6-4-11)14(10-17)7-1-2-8-14/h3-6,13H,1-2,7-10,17H2.
What are the key properties of [1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine?
[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine has a molecular weight of 239.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117351233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).