N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine

C14H18F3N — CID 43490426

IUPACN-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1c(F)cc(F)cc1F)C1CCCC1
InChIInChI=1S/C14H18F3N/c1-2-18-14(9-5-3-4-6-9)13-11(16)7-10(15)8-12(13)17/h7-9,14,18H,2-6H2,1H3
InChIKeyWTWRNQSDMZFCRV-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.94
Rot. Bonds4

About N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine

N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine (PubChem CID 43490426) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine
PubChem CID43490426
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1c(F)cc(F)cc1F)C1CCCC1
InChIInChI=1S/C14H18F3N/c1-2-18-14(9-5-3-4-6-9)13-11(16)7-10(15)8-12(13)17/h7-9,14,18H,2-6H2,1H3
InChIKeyWTWRNQSDMZFCRV-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]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

N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[cyclohexyl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 114981388
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
CID 43489814
N-[(4-bromo-5-chloro-2-fluorophenyl)-cyclooctylmethyl]ethanamine
CID 105398992
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109
N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine
CID 114887135
N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 55187562
N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 79747514
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine (CID 43490426) is N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine is CCNC(c1c(F)cc(F)cc1F)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine?
The InChIKey is WTWRNQSDMZFCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-2-18-14(9-5-3-4-6-9)13-11(16)7-10(15)8-12(13)17/h7-9,14,18H,2-6H2,1H3.
What are the key properties of N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine?
N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine has a molecular weight of 257.30 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43490426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).