2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine

C14H18F3N — CID 43104806

IUPAC2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(CC1CCCCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H18F3N/c15-10-7-11(16)14(12(17)8-10)13(18)6-9-4-2-1-3-5-9/h7-9,13H,1-6,18H2
InChIKeyLQSDSJWNINJDOH-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.07
Rot. Bonds3

About 2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine

2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 43104806) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID43104806
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(CC1CCCCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H18F3N/c15-10-7-11(16)14(12(17)8-10)13(18)6-9-4-2-1-3-5-9/h7-9,13H,1-6,18H2
InChIKeyLQSDSJWNINJDOH-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine
CID 115863908
(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
CID 28501633
2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine
CID 65458373
1-(3-bromo-2,6-difluorophenyl)-2-cycloheptylethanamine
CID 106944608
1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine
CID 107476113
[3-cyclohexyl-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 114193435
2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
CID 55272126
2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 114457480
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
[2-cycloheptyl-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105301798
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine (CID 43104806) is 2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine is NC(CC1CCCCC1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is LQSDSJWNINJDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-10-7-11(16)14(12(17)8-10)13(18)6-9-4-2-1-3-5-9/h7-9,13H,1-6,18H2.
What are the key properties of 2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine?
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 257.30 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 43104806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).