N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine

C13H16F3NO2 — CID 63360178

IUPACN-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine
SMILESFC(F)(F)Oc1ccccc1CNC1CCCOC1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)19-12-6-2-1-4-10(12)8-17-11-5-3-7-18-9-11/h1-2,4,6,11,17H,3,5,7-9H2
InChIKeyKSXCODMGBXALLK-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.85
Rot. Bonds4

About N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine

N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine (PubChem CID 63360178) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine
PubChem CID63360178
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine
SMILESFC(F)(F)Oc1ccccc1CNC1CCCOC1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)19-12-6-2-1-4-10(12)8-17-11-5-3-7-18-9-11/h1-2,4,6,11,17H,3,5,7-9H2
InChIKeyKSXCODMGBXALLK-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43216462
N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine
CID 115616389
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine
CID 61221925
1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115708068
N-(1,3-benzodioxol-4-ylmethyl)oxan-3-amine
CID 63360334
N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601425
N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63558326
N-[[2-(trifluoromethoxy)phenyl]methyl]morpholin-4-amine
CID 83009114
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine?
The IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine (CID 63360178) is N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine.
What is the SMILES notation for N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine?
The canonical SMILES for N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine is FC(F)(F)Oc1ccccc1CNC1CCCOC1.
What is the InChIKey of N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine?
The InChIKey is KSXCODMGBXALLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)19-12-6-2-1-4-10(12)8-17-11-5-3-7-18-9-11/h1-2,4,6,11,17H,3,5,7-9H2.
What are the key properties of N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine?
N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine has a molecular weight of 275.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine is sourced from PubChem (CID 63360178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).