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

C13H17F2N — CID 63277681

IUPACN-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1cccc(F)c1F
InChIInChI=1S/C13H17F2N/c1-9-4-2-7-12(9)16-8-10-5-3-6-11(14)13(10)15/h3,5-6,9,12,16H,2,4,7-8H2,1H3
InChIKeyFVVYYDZDJVCSBH-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.24
Rot. Bonds3

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

N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 63277681) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID63277681
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1cccc(F)c1F
InChIInChI=1S/C13H17F2N/c1-9-4-2-7-12(9)16-8-10-5-3-6-11(14)13(10)15/h3,5-6,9,12,16H,2,4,7-8H2,1H3
InChIKeyFVVYYDZDJVCSBH-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 103792995
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 115757258
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735
N-[(2,3-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43078350
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 43583510
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 63277687
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
4-fluoro-3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 107452900

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine (CID 63277681) is N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine is CC1CCCC1NCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is FVVYYDZDJVCSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-4-2-7-12(9)16-8-10-5-3-6-11(14)13(10)15/h3,5-6,9,12,16H,2,4,7-8H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine?
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 63277681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).