N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine

C15H20F3NO — CID 65332476

IUPACN-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)C1CCCOC1
InChIInChI=1S/C15H20F3NO/c1-2-19-14(12-6-4-8-20-10-12)11-5-3-7-13(9-11)15(16,17)18/h3,5,7,9,12,14,19H,2,4,6,8,10H2,1H3
InChIKeyGGHQFTPRWQBUOU-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.78
Rot. Bonds4

About N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine

N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 65332476) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID65332476
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)C1CCCOC1
InChIInChI=1S/C15H20F3NO/c1-2-19-14(12-6-4-8-20-10-12)11-5-3-7-13(9-11)15(16,17)18/h3,5,7,9,12,14,19H,2,4,6,8,10H2,1H3
InChIKeyGGHQFTPRWQBUOU-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[3-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115850632
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65412962
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
2-[[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]amino]acetonitrile
CID 124881063
N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107139269
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine
CID 81231200
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
N-[[3-(difluoromethoxy)phenyl]-(oxan-3-yl)methyl]propan-1-amine
CID 107139119

Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 65332476) is N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1cccc(C(F)(F)F)c1)C1CCCOC1.
What is the InChIKey of N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is GGHQFTPRWQBUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-19-14(12-6-4-8-20-10-12)11-5-3-7-13(9-11)15(16,17)18/h3,5,7,9,12,14,19H,2,4,6,8,10H2,1H3.
What are the key properties of N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 287.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 65332476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).