3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine

C13H17F2N — CID 64910057

IUPAC3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1Cc1cc(F)ccc1F
InChIInChI=1S/C13H17F2N/c1-8-9(2-5-13(8)16)6-10-7-11(14)3-4-12(10)15/h3-4,7-9,13H,2,5-6,16H2,1H3
InChIKeyIFKUMOSGKAFULY-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.88
Rot. Bonds2

About 3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine

3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 64910057) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID64910057
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1Cc1cc(F)ccc1F
InChIInChI=1S/C13H17F2N/c1-8-9(2-5-13(8)16)6-10-7-11(14)3-4-12(10)15/h3-4,7-9,13H,2,5-6,16H2,1H3
InChIKeyIFKUMOSGKAFULY-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 105375553
3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 114349423
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795133
3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 103041667
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
CID 81015031
1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 64908376
2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene
CID 63472389
2-[(2,5-difluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020545
1-chloro-2-[(2,5-difluorophenyl)methyl]cycloheptane
CID 55219699
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
CID 64910113
1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81031224
3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908983

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine (CID 64910057) is 3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine is CC1C(N)CCC1Cc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is IFKUMOSGKAFULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-8-9(2-5-13(8)16)6-10-7-11(14)3-4-12(10)15/h3-4,7-9,13H,2,5-6,16H2,1H3.
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine?
3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64910057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).