1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C14H18F3NO — CID 55132371

IUPAC1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)C1CCOCC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-3-1-10(2-4-12)9-13(18)11-5-7-19-8-6-11/h1-4,11,13H,5-9,18H2
InChIKeyJGIPQVZGGZCCGC-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.00
Rot. Bonds3

About 1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 55132371) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID55132371
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)C1CCOCC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-3-1-10(2-4-12)9-13(18)11-5-7-19-8-6-11/h1-4,11,13H,5-9,18H2
InChIKeyJGIPQVZGGZCCGC-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]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-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 115846809
1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 65415744
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
CID 65331958
2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine
CID 62905159
(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 171249581
3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935479
2-(3-bromo-4-methoxyphenyl)-1-(oxan-4-yl)ethanamine
CID 65334383
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269
[3,5-bis(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 118086233
1-(2-bromo-3-cyclopropylpropyl)-4-(trifluoromethyl)benzene
CID 55224852

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 55132371) is 1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is NC(Cc1ccc(C(F)(F)F)cc1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JGIPQVZGGZCCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12-3-1-10(2-4-12)9-13(18)11-5-7-19-8-6-11/h1-4,11,13H,5-9,18H2.
What are the key properties of 1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 55132371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).