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

C15H20F3NO — CID 103779552

IUPAC1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1C(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H20F3NO/c1-11(12-6-8-20-9-7-12)19-10-13-4-2-3-5-14(13)15(16,17)18/h2-5,11-12,19H,6-10H2,1H3
InChIKeyNSGMVLPBPFNYNL-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.61
Rot. Bonds4

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

1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 103779552) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID103779552
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1C(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H20F3NO/c1-11(12-6-8-20-9-7-12)19-10-13-4-2-3-5-14(13)15(16,17)18/h2-5,11-12,19H,6-10H2,1H3
InChIKeyNSGMVLPBPFNYNL-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-nitrophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103901284
1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 75483307
methyl 2-[[1-(oxan-4-yl)ethylamino]methyl]benzoate
CID 103923703
N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103944162
(1S)-N-[(3-bromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 97102481
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774
N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768975
N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769024
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 113258289

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 103779552) is 1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is CC(NCc1ccccc1C(F)(F)F)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is NSGMVLPBPFNYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-11(12-6-8-20-9-7-12)19-10-13-4-2-3-5-14(13)15(16,17)18/h2-5,11-12,19H,6-10H2,1H3.
What are the key properties of 1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 287.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 103779552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).