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

C21H25NO2 — CID 171953641

IUPAC3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2cccc(OCc3ccccc3)c2)CC2CCC(C1)N2
InChIInChI=1S/C21H25NO2/c23-21(13-18-9-10-19(14-21)22-18)12-17-7-4-8-20(11-17)24-15-16-5-2-1-3-6-16/h1-8,11,18-19,22-23H,9-10,12-15H2
InChIKeyOOHOPMBTJIOFDC-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.45
Rot. Bonds5

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

3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171953641) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171953641
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2cccc(OCc3ccccc3)c2)CC2CCC(C1)N2
InChIInChI=1S/C21H25NO2/c23-21(13-18-9-10-19(14-21)22-18)12-17-7-4-8-20(11-17)24-15-16-5-2-1-3-6-16/h1-8,11,18-19,22-23H,9-10,12-15H2
InChIKeyOOHOPMBTJIOFDC-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(difluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171963260
cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid
CID 59978540
8-benzyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171956906
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 132648826
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145739
2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
CID 82185961
9-benzyl-7-(3-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171953338
1-phenylmethoxy-3-propylbenzene
CID 58977798
N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide
CID 2236040

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171953641) is 3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(Cc2cccc(OCc3ccccc3)c2)CC2CCC(C1)N2.
What is the InChIKey of 3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is OOHOPMBTJIOFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-21(13-18-9-10-19(14-21)22-18)12-17-7-4-8-20(11-17)24-15-16-5-2-1-3-6-16/h1-8,11,18-19,22-23H,9-10,12-15H2.
What are the key properties of 3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 323.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171953641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).