N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine

C17H24F3N — CID 82925286

IUPACN-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCC(c1cccc(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C17H24F3N/c1-2-10-21-12-16(13-6-3-4-7-13)14-8-5-9-15(11-14)17(18,19)20/h5,8-9,11,13,16,21H,2-4,6-7,10,12H2,1H3
InChIKeyFJGBOOFBKSZHKV-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.98
Rot. Bonds6

About N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine

N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (PubChem CID 82925286) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
PubChem CID82925286
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCC(c1cccc(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C17H24F3N/c1-2-10-21-12-16(13-6-3-4-7-13)14-8-5-9-15(11-14)17(18,19)20/h5,8-9,11,13,16,21H,2-4,6-7,10,12H2,1H3
InChIKeyFJGBOOFBKSZHKV-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine
CID 104819486
N-[6-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850627
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
N-[thiolan-2-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 80626433
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65423947
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
N-[2-(3-chloro-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 82936250
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
CID 82933275

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (CID 82925286) is N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is CCCNCC(c1cccc(C(F)(F)F)c1)C1CCCC1.
What is the InChIKey of N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is FJGBOOFBKSZHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-2-10-21-12-16(13-6-3-4-7-13)14-8-5-9-15(11-14)17(18,19)20/h5,8-9,11,13,16,21H,2-4,6-7,10,12H2,1H3.
What are the key properties of N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 82925286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).