N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C15H19F2NO2 — CID 80715882

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1O2)c1ccccc1OC(F)F
InChIInChI=1S/C15H19F2NO2/c1-9(18-12-8-10-6-7-14(12)19-10)11-4-2-3-5-13(11)20-15(16)17/h2-5,9-10,12,14-15,18H,6-8H2,1H3
InChIKeyGORGKFHIPPEFSK-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.26
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80715882) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80715882
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1O2)c1ccccc1OC(F)F
InChIInChI=1S/C15H19F2NO2/c1-9(18-12-8-10-6-7-14(12)19-10)11-4-2-3-5-13(11)20-15(16)17/h2-5,9-10,12,14-15,18H,6-8H2,1H3
InChIKeyGORGKFHIPPEFSK-UHFFFAOYSA-N
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98792983
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364151
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751364
3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
CID 79461771
N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
CID 113262690
2-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]benzene-1,3-diol
CID 107711100
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
CID 43373385
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860740
(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 129378888
N-[1-[2-(difluoromethoxy)phenyl]ethyl]thian-3-amine
CID 55129593
N-[1-(1-benzothiophen-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 114909997
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611753

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80715882) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is CC(NC1CC2CCC1O2)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is GORGKFHIPPEFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-9(18-12-8-10-6-7-14(12)19-10)11-4-2-3-5-13(11)20-15(16)17/h2-5,9-10,12,14-15,18H,6-8H2,1H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 283.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80715882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).