2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine

C15H22FN — CID 115847143

IUPAC2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc(C)cc1F
InChIInChI=1S/C15H22FN/c1-11-7-8-13(14(16)9-11)15(17-2)10-12-5-3-4-6-12/h7-9,12,15,17H,3-6,10H2,1-2H3
InChIKeyXBPDBONRYCZRJU-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.97
Rot. Bonds4

About 2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine

2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine (PubChem CID 115847143) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
PubChem CID115847143
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc(C)cc1F
InChIInChI=1S/C15H22FN/c1-11-7-8-13(14(16)9-11)15(17-2)10-12-5-3-4-6-12/h7-9,12,15,17H,3-6,10H2,1-2H3
InChIKeyXBPDBONRYCZRJU-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105311039
1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
CID 114906443
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309984
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 62603934
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
[1-(2-bromo-4-methylphenyl)-2-cyclopentylethyl]hydrazine
CID 105299035
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 105412480

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine (CID 115847143) is 2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine is CNC(CC1CCCC1)c1ccc(C)cc1F.
What is the InChIKey of 2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine?
The InChIKey is XBPDBONRYCZRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-7-8-13(14(16)9-11)15(17-2)10-12-5-3-4-6-12/h7-9,12,15,17H,3-6,10H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine?
2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 115847143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).