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

C15H21F2N — CID 64560428

IUPAC1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1F)CC1CCCC1
InChIInChI=1S/C15H21F2N/c1-18-14(8-11-4-2-3-5-11)9-12-6-7-13(16)10-15(12)17/h6-7,10-11,14,18H,2-5,8-9H2,1H3
InChIKeyWMSDATPFLKSXQD-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.68
Rot. Bonds5

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

1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine (PubChem CID 64560428) 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-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
PubChem CID64560428
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1F)CC1CCCC1
InChIInChI=1S/C15H21F2N/c1-18-14(8-11-4-2-3-5-11)9-12-6-7-13(16)10-15(12)17/h6-7,10-11,14,18H,2-5,8-9H2,1H3
InChIKeyWMSDATPFLKSXQD-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-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860
[1-cyclobutyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223148
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene
CID 103166568
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 115839945
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
[4-cyclohexyl-1-(2,4-difluorophenyl)butan-2-yl]hydrazine
CID 105291836
1-(2-bromo-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105136332
1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114458171

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine (CID 64560428) is 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(F)cc1F)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine?
The InChIKey is WMSDATPFLKSXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-18-14(8-11-4-2-3-5-11)9-12-6-7-13(16)10-15(12)17/h6-7,10-11,14,18H,2-5,8-9H2,1H3.
What are the key properties of 1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine?
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-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-2-amine is sourced from PubChem (CID 64560428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).