3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine

C15H20F3NO — CID 61020486

IUPAC3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
SMILESFC(F)(F)CC(NCC1CCCOC1)c1ccccc1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)9-14(13-6-2-1-3-7-13)19-10-12-5-4-8-20-11-12/h1-3,6-7,12,14,19H,4-5,8-11H2
InChIKeyWNNBIKXQCJQWPU-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.70
Rot. Bonds5

About 3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine

3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine (PubChem CID 61020486) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
PubChem CID61020486
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
SMILESFC(F)(F)CC(NCC1CCCOC1)c1ccccc1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)9-14(13-6-2-1-3-7-13)19-10-12-5-4-8-20-11-12/h1-3,6-7,12,14,19H,4-5,8-11H2
InChIKeyWNNBIKXQCJQWPU-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide
CID 77031802
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 63448133
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
4,4,4-trifluoro-N-(oxan-3-ylmethyl)butan-2-amine
CID 103778206
N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine
CID 107137812
N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine
CID 43760194
1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906872
N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63736846
3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
CID 60961509
(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 81354216
N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 63740369

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine (CID 61020486) is 3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine is FC(F)(F)CC(NCC1CCCOC1)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine?
The InChIKey is WNNBIKXQCJQWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)9-14(13-6-2-1-3-7-13)19-10-12-5-4-8-20-11-12/h1-3,6-7,12,14,19H,4-5,8-11H2.
What are the key properties of 3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine?
3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 61020486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).