1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C15H20F3N — CID 65415364

IUPAC1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CCC(C(N)Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N/c1-10-5-6-12(7-10)14(19)9-11-3-2-4-13(8-11)15(16,17)18/h2-4,8,10,12,14H,5-7,9,19H2,1H3
InChIKeyQMRSYSQLPBKCQO-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.01
Rot. Bonds3

About 1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 65415364) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID65415364
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CCC(C(N)Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N/c1-10-5-6-12(7-10)14(19)9-11-3-2-4-13(8-11)15(16,17)18/h2-4,8,10,12,14H,5-7,9,19H2,1H3
InChIKeyQMRSYSQLPBKCQO-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65422341
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65414568
1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107188138
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65476305
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65412962
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
2-cyclopentyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112569664
3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115831160
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
[1-(3-bicyclo[3.1.0]hexanyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105293227
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 65415364) is 1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is CC1CCC(C(N)Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is QMRSYSQLPBKCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10-5-6-12(7-10)14(19)9-11-3-2-4-13(8-11)15(16,17)18/h2-4,8,10,12,14H,5-7,9,19H2,1H3.
What are the key properties of 1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 271.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 65415364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).