2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine

C15H21F2N — CID 113328709

IUPAC2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)c1cccc(CNCCC2CCCC2)c1
InChIInChI=1S/C15H21F2N/c16-15(17)14-7-3-6-13(10-14)11-18-9-8-12-4-1-2-5-12/h3,6-7,10,12,15,18H,1-2,4-5,8-9,11H2
InChIKeyLAGSICSQAIBNPC-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.29
Rot. Bonds6

About 2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine

2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine (PubChem CID 113328709) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
PubChem CID113328709
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)c1cccc(CNCCC2CCCC2)c1
InChIInChI=1S/C15H21F2N/c16-15(17)14-7-3-6-13(10-14)11-18-9-8-12-4-1-2-5-12/h3,6-7,10,12,15,18H,1-2,4-5,8-9,11H2
InChIKeyLAGSICSQAIBNPC-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
3-[(2-cyclohexylethylamino)methyl]phenol
CID 60752412
3-[(2-cyclohexylethylamino)methyl]-N-methylaniline
CID 115212292
2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970
2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine
CID 107470447
N-[[3-(difluoromethyl)phenyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 114187455
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561
2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 115526586
2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine
CID 60732590
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine
CID 115526053
N-[3-[(2-cyclohexylethylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225311

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine (CID 113328709) is 2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine is FC(F)c1cccc(CNCCC2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is LAGSICSQAIBNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c16-15(17)14-7-3-6-13(10-14)11-18-9-8-12-4-1-2-5-12/h3,6-7,10,12,15,18H,1-2,4-5,8-9,11H2.
What are the key properties of 2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine?
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 113328709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).