8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C23H29NO2 — CID 171954961

IUPAC8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)Oc1ccccc1C1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29NO2/c1-17(2)26-22-11-7-6-10-21(22)23(25)14-19-12-13-20(15-23)24(19)16-18-8-4-3-5-9-18/h3-11,17,19-20,25H,12-16H2,1-2H3
InChIKeyMFYTVKWLPJZJKE-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.49
Rot. Bonds5

About 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171954961) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171954961
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)Oc1ccccc1C1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29NO2/c1-17(2)26-22-11-7-6-10-21(22)23(25)14-19-12-13-20(15-23)24(19)16-18-8-4-3-5-9-18/h3-11,17,19-20,25H,12-16H2,1-2H3
InChIKeyMFYTVKWLPJZJKE-UHFFFAOYSA-N
XLogP4.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5S)-3-(2-fluorophenyl)-8-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 51504229
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol
CID 103564580
8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957624
8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171958821
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971014
8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957894
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
9-benzyl-7-(2-propan-2-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961994
8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964404
8-benzyl-3-(4-methoxy-3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961415
8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171954961) is 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol is CC(C)Oc1ccccc1C1(O)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is MFYTVKWLPJZJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-17(2)26-22-11-7-6-10-21(22)23(25)14-19-12-13-20(15-23)24(19)16-18-8-4-3-5-9-18/h3-11,17,19-20,25H,12-16H2,1-2H3.
What are the key properties of 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 351.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171954961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).