[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol

C22H25NO — CID 171971550

IUPAC[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol
SMILESOCc1cccc(C2=CC3CCCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C22H25NO/c24-16-18-8-4-9-19(12-18)20-13-21-10-5-11-22(14-20)23(21)15-17-6-2-1-3-7-17/h1-4,6-9,12-13,21-22,24H,5,10-11,14-16H2
InChIKeyJFFQMLRVKHMPTD-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.39
Rot. Bonds4

About [3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol

[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol (PubChem CID 171971550) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is [3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol
PubChem CID171971550
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol
SMILESOCc1cccc(C2=CC3CCCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C22H25NO/c24-16-18-8-4-9-19(12-18)20-13-21-10-5-11-22(14-20)23(21)15-17-6-2-1-3-7-17/h1-4,6-9,12-13,21-22,24H,5,10-11,14-16H2
InChIKeyJFFQMLRVKHMPTD-UHFFFAOYSA-N
XLogP4.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
CID 171972827
9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171968666
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-2-chlorobenzoic acid
CID 171969656
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971649
3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
CID 67101284
1-[4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]ethanone
CID 171971045
4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide
CID 171971254
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-1,3-benzoxazole
CID 171970818
9-benzyl-3-(4-chloro-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971662
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
2-[4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-2-fluorophenyl]acetonitrile
CID 171970037

Frequently Asked Questions

What is the IUPAC name of [3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol?
The IUPAC name of [3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol (CID 171971550) is [3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol.
What is the SMILES notation for [3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol?
The canonical SMILES for [3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol is OCc1cccc(C2=CC3CCCC(C2)N3Cc2ccccc2)c1.
What is the InChIKey of [3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol?
The InChIKey is JFFQMLRVKHMPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c24-16-18-8-4-9-19(12-18)20-13-21-10-5-11-22(14-20)23(21)15-17-6-2-1-3-7-17/h1-4,6-9,12-13,21-22,24H,5,10-11,14-16H2.
What are the key properties of [3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol?
[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol has a molecular weight of 319.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol is sourced from PubChem (CID 171971550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).