2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine

C13H16F3N — CID 103792995

IUPAC2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
SMILESCC1CCCC1NCc1cc(F)c(F)cc1F
InChIInChI=1S/C13H16F3N/c1-8-3-2-4-13(8)17-7-9-5-11(15)12(16)6-10(9)14/h5-6,8,13,17H,2-4,7H2,1H3
InChIKeyGXIHKNNWJRTNFX-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.38
Rot. Bonds3

About 2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine

2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine (PubChem CID 103792995) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
PubChem CID103792995
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
SMILESCC1CCCC1NCc1cc(F)c(F)cc1F
InChIInChI=1S/C13H16F3N/c1-8-3-2-4-13(8)17-7-9-5-11(15)12(16)6-10(9)14/h5-6,8,13,17H,2-4,7H2,1H3
InChIKeyGXIHKNNWJRTNFX-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277681
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472
4-fluoro-3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 107452900
4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278120
4-fluoro-3-[[(2-methylcyclohexyl)amino]methyl]benzonitrile
CID 43179956
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine
CID 81145754
N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 115757258
N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995268
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine (CID 103792995) is 2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine is CC1CCCC1NCc1cc(F)c(F)cc1F.
What is the InChIKey of 2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
The InChIKey is GXIHKNNWJRTNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8-3-2-4-13(8)17-7-9-5-11(15)12(16)6-10(9)14/h5-6,8,13,17H,2-4,7H2,1H3.
What are the key properties of 2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 103792995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).