2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine

C14H19F2N — CID 60732970

IUPAC2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
SMILESFc1ccc(CNCCC2CCCC2)cc1F
InChIInChI=1S/C14H19F2N/c15-13-6-5-12(9-14(13)16)10-17-8-7-11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,10H2
InChIKeyGKHTYWGDFRJIMK-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.63
Rot. Bonds5

About 2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine

2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine (PubChem CID 60732970) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
PubChem CID60732970
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
SMILESFc1ccc(CNCCC2CCCC2)cc1F
InChIInChI=1S/C14H19F2N/c15-13-6-5-12(9-14(13)16)10-17-8-7-11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,10H2
InChIKeyGKHTYWGDFRJIMK-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine 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

N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210742
2-cyclobutyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 115690076
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 113263535
5-[(2-cyclopropylethylamino)methyl]-2-fluorobenzonitrile
CID 107880286
2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 60732889
4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride
CID 68605128
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
3-[(2-cyclohexylethylamino)methyl]phenol
CID 60752412
2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 54932887
2-fluoro-5-[[2-(3-methylcyclohexyl)ethylamino]methyl]benzonitrile
CID 107880249

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine (CID 60732970) is 2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine is Fc1ccc(CNCCC2CCCC2)cc1F.
What is the InChIKey of 2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine?
The InChIKey is GKHTYWGDFRJIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c15-13-6-5-12(9-14(13)16)10-17-8-7-11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,10H2.
What are the key properties of 2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine?
2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 60732970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).