3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H19F2NO2 — CID 171963260

IUPAC3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2cccc(OC(F)F)c2)CC2CCC(C1)N2
InChIInChI=1S/C15H19F2NO2/c16-14(17)20-13-3-1-2-10(6-13)7-15(19)8-11-4-5-12(9-15)18-11/h1-3,6,11-12,14,18-19H,4-5,7-9H2
InChIKeyXOLJIKVJWCJJEY-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.48
Rot. Bonds4

About 3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171963260) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171963260
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2cccc(OC(F)F)c2)CC2CCC(C1)N2
InChIInChI=1S/C15H19F2NO2/c16-14(17)20-13-3-1-2-10(6-13)7-15(19)8-11-4-5-12(9-15)18-11/h1-3,6,11-12,14,18-19H,4-5,7-9H2
InChIKeyXOLJIKVJWCJJEY-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171953641
benzyl 3-[[3-(difluoromethoxy)phenyl]methyl]-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171963275
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
2-[3-(difluoromethoxy)phenyl]-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 171949103
3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145739
8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171954689
8-benzyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171956906
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid
CID 122100606
1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
CID 169150536
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 119456975

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171963260) is 3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(Cc2cccc(OC(F)F)c2)CC2CCC(C1)N2.
What is the InChIKey of 3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XOLJIKVJWCJJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-14(17)20-13-3-1-2-10(6-13)7-15(19)8-11-4-5-12(9-15)18-11/h1-3,6,11-12,14,18-19H,4-5,7-9H2.
What are the key properties of 3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 283.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171963260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).