2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine

C17H24F3N — CID 102758480

IUPAC2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(CC1CCCC1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C17H24F3N/c1-3-21-16(11-13-6-4-5-7-13)15-9-8-14(10-12(15)2)17(18,19)20/h8-10,13,16,21H,3-7,11H2,1-2H3
InChIKeyIJNFCGAMKNOGKF-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.24
Rot. Bonds5

About 2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine

2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 102758480) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID102758480
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(CC1CCCC1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C17H24F3N/c1-3-21-16(11-13-6-4-5-7-13)15-9-8-14(10-12(15)2)17(18,19)20/h8-10,13,16,21H,3-7,11H2,1-2H3
InChIKeyIJNFCGAMKNOGKF-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
CID 102757776
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-(thian-4-yl)ethanamine
CID 102757909
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine
CID 102758491
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
N-[6-bicyclo[3.1.0]hexanyl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102758124
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
[1-[2-methyl-4-(trifluoromethyl)phenyl]-2-(oxolan-3-yl)ethyl]hydrazine
CID 102759720
N-[3-bicyclo[3.1.0]hexanyl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102758303
N-ethyl-3-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755108
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine (CID 102758480) is 2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine is CCNC(CC1CCCC1)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is IJNFCGAMKNOGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-3-21-16(11-13-6-4-5-7-13)15-9-8-14(10-12(15)2)17(18,19)20/h8-10,13,16,21H,3-7,11H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 299.38 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 102758480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).