N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C14H16F3NO2 — CID 80601425

IUPACN-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)(F)Oc1ccccc1CNC1CC2CCC1O2
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)20-12-4-2-1-3-9(12)8-18-11-7-10-5-6-13(11)19-10/h1-4,10-11,13,18H,5-8H2
InChIKeyBRXYGNKWHVNGSA-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.99
Rot. Bonds4

About N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80601425) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80601425
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)(F)Oc1ccccc1CNC1CC2CCC1O2
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)20-12-4-2-1-3-9(12)8-18-11-7-10-5-6-13(11)19-10/h1-4,10-11,13,18H,5-8H2
InChIKeyBRXYGNKWHVNGSA-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601611
N-[(2-ethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601706
N-[(2-prop-2-ynoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601915
N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine
CID 63360178
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43216462
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
4-fluoro-3-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]benzoic acid
CID 107453125
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601911
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602680
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611655

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80601425) is N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is FC(F)(F)Oc1ccccc1CNC1CC2CCC1O2.
What is the InChIKey of N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is BRXYGNKWHVNGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)20-12-4-2-1-3-9(12)8-18-11-7-10-5-6-13(11)19-10/h1-4,10-11,13,18H,5-8H2.
What are the key properties of N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 287.28 g/mol, XLogP of 2.99, 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]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80601425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).