1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine

C15H21F2N — CID 113390146

IUPAC1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(F)cc1F)C1CCCC1
InChIInChI=1S/C15H21F2N/c1-18-15(12-4-2-3-5-12)9-7-11-6-8-13(16)10-14(11)17/h6,8,10,12,15,18H,2-5,7,9H2,1H3
InChIKeyFAKLRHUCCHJHSL-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.68
Rot. Bonds5

About 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine

1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine (PubChem CID 113390146) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
PubChem CID113390146
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(F)cc1F)C1CCCC1
InChIInChI=1S/C15H21F2N/c1-18-15(12-4-2-3-5-12)9-7-11-6-8-13(16)10-14(11)17/h6,8,10,12,15,18H,2-5,7,9H2,1H3
InChIKeyFAKLRHUCCHJHSL-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 114850824
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 64560428
1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene
CID 63358358
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine
CID 64740451
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine (CID 113390146) is 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine is CNC(CCc1ccc(F)cc1F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine?
The InChIKey is FAKLRHUCCHJHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-18-15(12-4-2-3-5-12)9-7-11-6-8-13(16)10-14(11)17/h6,8,10,12,15,18H,2-5,7,9H2,1H3.
What are the key properties of 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine?
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 113390146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).