2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine

C14H18F3N — CID 113263535

IUPAC2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESFc1cc(F)c(CNCCC2CCCC2)cc1F
InChIInChI=1S/C14H18F3N/c15-12-8-14(17)13(16)7-11(12)9-18-6-5-10-3-1-2-4-10/h7-8,10,18H,1-6,9H2
InChIKeyZWYXDHHSIHMMNT-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.77
Rot. Bonds5

About 2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine

2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 113263535) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID113263535
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESFc1cc(F)c(CNCCC2CCCC2)cc1F
InChIInChI=1S/C14H18F3N/c15-12-8-14(17)13(16)7-11(12)9-18-6-5-10-3-1-2-4-10/h7-8,10,18H,1-6,9H2
InChIKeyZWYXDHHSIHMMNT-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970
2-cyclobutyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 115690076
4-[(3-cyclopentylpropylamino)methyl]-3-fluorobenzonitrile
CID 103823344
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide
CID 58276415
3-[(2-cyclopentylethylamino)methyl]-2-fluorobenzonitrile
CID 107114440
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
N-[(3-bromo-5-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 79709953
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
CID 63450398
N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine
CID 117044344
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine (CID 113263535) is 2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine is Fc1cc(F)c(CNCCC2CCCC2)cc1F.
What is the InChIKey of 2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is ZWYXDHHSIHMMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-12-8-14(17)13(16)7-11(12)9-18-6-5-10-3-1-2-4-10/h7-8,10,18H,1-6,9H2.
What are the key properties of 2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 257.30 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 113263535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).