[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol

C21H23NO — CID 171972827

IUPAC[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
SMILESOCc1cccc(C2=CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C21H23NO/c23-15-17-7-4-8-18(11-17)19-12-20-9-10-21(13-19)22(20)14-16-5-2-1-3-6-16/h1-8,11-12,20-21,23H,9-10,13-15H2
InChIKeyJUGNXNXJFNEHCK-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.00
Rot. Bonds4

About [3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol

[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol (PubChem CID 171972827) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is [3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
PubChem CID171972827
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
SMILESOCc1cccc(C2=CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C21H23NO/c23-15-17-7-4-8-18(11-17)19-12-20-9-10-21(13-19)22(20)14-16-5-2-1-3-6-16/h1-8,11-12,20-21,23H,9-10,13-15H2
InChIKeyJUGNXNXJFNEHCK-UHFFFAOYSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol with MolForge

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Related Compounds

[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol
CID 171971550
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239
3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
CID 67101284
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
8-benzyl-3-(3-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene;iodoform
CID 123525033
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171968586
5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-2-fluorobenzonitrile
CID 171971806
8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971011
6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
CID 171970824
9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171968666

Frequently Asked Questions

What is the IUPAC name of [3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol?
The IUPAC name of [3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol (CID 171972827) is [3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol.
What is the SMILES notation for [3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol?
The canonical SMILES for [3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol is OCc1cccc(C2=CC3CCC(C2)N3Cc2ccccc2)c1.
What is the InChIKey of [3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol?
The InChIKey is JUGNXNXJFNEHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c23-15-17-7-4-8-18(11-17)19-12-20-9-10-21(13-19)22(20)14-16-5-2-1-3-6-16/h1-8,11-12,20-21,23H,9-10,13-15H2.
What are the key properties of [3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol?
[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol has a molecular weight of 305.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol is sourced from PubChem (CID 171972827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).