1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine

C14H18F3NO2 — CID 103643870

IUPAC1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1cccc(CNCC2CCCOC2)c1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)20-13-5-1-3-11(7-13)8-18-9-12-4-2-6-19-10-12/h1,3,5,7,12,18H,2,4,6,8-10H2
InChIKeyWQOHMHQXBFNNQX-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.10
Rot. Bonds5

About 1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine

1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 103643870) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID103643870
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1cccc(CNCC2CCCOC2)c1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)20-13-5-1-3-11(7-13)8-18-9-12-4-2-6-19-10-12/h1,3,5,7,12,18H,2,4,6,8-10H2
InChIKeyWQOHMHQXBFNNQX-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106127419
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561
N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 74236468
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95160740
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 103645114
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
1-(oxan-3-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 55147927
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792
1-[3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 68777875
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine
CID 54906782

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine (CID 103643870) is 1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine is FC(F)(F)Oc1cccc(CNCC2CCCOC2)c1.
What is the InChIKey of 1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is WQOHMHQXBFNNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)20-13-5-1-3-11(7-13)8-18-9-12-4-2-6-19-10-12/h1,3,5,7,12,18H,2,4,6,8-10H2.
What are the key properties of 1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 289.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 103643870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).