2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine

C15H20F3N — CID 103302742

IUPAC2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
SMILESCCNC(CC1CCCC1)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H20F3N/c1-2-19-15(7-10-5-3-4-6-10)11-8-13(17)14(18)9-12(11)16/h8-10,15,19H,2-7H2,1H3
InChIKeyPTCPLVGGOBJLRL-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.33
Rot. Bonds5

About 2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine

2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine (PubChem CID 103302742) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
PubChem CID103302742
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
SMILESCCNC(CC1CCCC1)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H20F3N/c1-2-19-15(7-10-5-3-4-6-10)11-8-13(17)14(18)9-12(11)16/h8-10,15,19H,2-7H2,1H3
InChIKeyPTCPLVGGOBJLRL-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
CID 103163113
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302763
2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106878239
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
CID 79726318
2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 102758480

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine (CID 103302742) is 2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine is CCNC(CC1CCCC1)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine?
The InChIKey is PTCPLVGGOBJLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-19-15(7-10-5-3-4-6-10)11-8-13(17)14(18)9-12(11)16/h8-10,15,19H,2-7H2,1H3.
What are the key properties of 2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine?
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine has a molecular weight of 271.33 g/mol, XLogP of 4.33, 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-(2,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 103302742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).