N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine

C16H22F3N — CID 115847145

IUPACN-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H22F3N/c1-2-9-20-14(10-11-5-3-4-6-11)12-7-8-13(17)16(19)15(12)18/h7-8,11,14,20H,2-6,9-10H2,1H3
InChIKeyNNNRMHRIJGSWDT-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.72
Rot. Bonds6

About N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine

N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine (PubChem CID 115847145) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
PubChem CID115847145
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H22F3N/c1-2-9-20-14(10-11-5-3-4-6-11)12-7-8-13(17)16(19)15(12)18/h7-8,11,14,20H,2-6,9-10H2,1H3
InChIKeyNNNRMHRIJGSWDT-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[2-cyclopentylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 65140573
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
N-ethyl-2-(thian-4-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105146575
N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 105138910
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
3-(oxolan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115855107

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine (CID 115847145) is N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine is CCCNC(CC1CCCC1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine?
The InChIKey is NNNRMHRIJGSWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-9-20-14(10-11-5-3-4-6-11)12-7-8-13(17)16(19)15(12)18/h7-8,11,14,20H,2-6,9-10H2,1H3.
What are the key properties of N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine?
N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115847145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).