1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine

C15H20F3NO — CID 115704677

IUPAC1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCC(NC(C)C1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-10(19-11(2)13-6-7-20-9-13)12-4-3-5-14(8-12)15(16,17)18/h3-5,8,10-11,13,19H,6-7,9H2,1-2H3
InChIKeyNSUOGYOPVHMFSL-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.78
Rot. Bonds4

About 1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine

1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine (PubChem CID 115704677) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
PubChem CID115704677
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCC(NC(C)C1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-10(19-11(2)13-6-7-20-9-13)12-4-3-5-14(8-12)15(16,17)18/h3-5,8,10-11,13,19H,6-7,9H2,1-2H3
InChIKeyNSUOGYOPVHMFSL-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

(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115718211
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115713183
N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 103986937
N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65332476
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494
N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline
CID 115723946
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 103786183
2-[[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]amino]acetonitrile
CID 124881063
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine (CID 115704677) is 1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine is CC(NC(C)C1CCOC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine?
The InChIKey is NSUOGYOPVHMFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10(19-11(2)13-6-7-20-9-13)12-4-3-5-14(8-12)15(16,17)18/h3-5,8,10-11,13,19H,6-7,9H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine?
1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]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 1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine is sourced from PubChem (CID 115704677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).