2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine

C12H15F2N — CID 61381585

IUPAC2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1Cc1cccc(F)c1F
InChIInChI=1S/C12H15F2N/c13-10-5-1-4-9(12(10)14)7-8-3-2-6-11(8)15/h1,4-5,8,11H,2-3,6-7,15H2
InChIKeyKDWDTMJLYKJTBX-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.63
Rot. Bonds2

About 2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine

2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine (PubChem CID 61381585) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine
PubChem CID61381585
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1Cc1cccc(F)c1F
InChIInChI=1S/C12H15F2N/c13-10-5-1-4-9(12(10)14)7-8-3-2-6-11(8)15/h1,4-5,8,11H,2-3,6-7,15H2
InChIKeyKDWDTMJLYKJTBX-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine
CID 112652653
[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 81010182
3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 64505305
4-[(2,3-difluorophenyl)methyl]thiolan-3-amine
CID 83196495
2-[(2,3-difluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81009415
2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055
N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028870
4-[(2,3-difluorophenyl)methyl]thiolan-3-ol
CID 83190277
N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017651
1-[(3-bromocyclohexyl)methyl]-2,3-difluorobenzene
CID 64507155
2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine
CID 114935142
cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 92754817

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine (CID 61381585) is 2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine is NC1CCCC1Cc1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine?
The InChIKey is KDWDTMJLYKJTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-10-5-1-4-9(12(10)14)7-8-3-2-6-11(8)15/h1,4-5,8,11H,2-3,6-7,15H2.
What are the key properties of 2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine?
2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine has a molecular weight of 211.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 61381585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).