(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane

C15H21NO — CID 125485645

IUPAC(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane
SMILESCOc1cccc([C@]23CCC[C@@H](C2)NCC3)c1
InChIInChI=1S/C15H21NO/c1-17-14-6-2-4-12(10-14)15-7-3-5-13(11-15)16-9-8-15/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3/t13-,15-/m0/s1
InChIKeyYBSDTHRNHLWZCR-ZFWWWQNUSA-N
MW231.34 g/mol
LogP2.87
Rot. Bonds2

About (1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane

(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane (PubChem CID 125485645) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane
PubChem CID125485645
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane
SMILESCOc1cccc([C@]23CCC[C@@H](C2)NCC3)c1
InChIInChI=1S/C15H21NO/c1-17-14-6-2-4-12(10-14)15-7-3-5-13(11-15)16-9-8-15/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3/t13-,15-/m0/s1
InChIKeyYBSDTHRNHLWZCR-ZFWWWQNUSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane 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-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 129386349
1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
CID 3045730
(1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one
CID 16756620
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
1-(3-methoxyphenyl)adamantane
CID 54036220
(5aR,8aR)-5a-(3-methoxyphenyl)-2,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-1-one
CID 70607710
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
(1S,5R)-5-(3-methoxyphenyl)-2-[[(1R,2S)-2-phenylcyclopropyl]methyl]-2-azabicyclo[3.3.1]nonane
CID 51002783
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169149734

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane?
The IUPAC name of (1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane (CID 125485645) is (1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane is COc1cccc([C@]23CCC[C@@H](C2)NCC3)c1.
What is the InChIKey of (1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane?
The InChIKey is YBSDTHRNHLWZCR-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-14-6-2-4-12(10-14)15-7-3-5-13(11-15)16-9-8-15/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3/t13-,15-/m0/s1.
What are the key properties of (1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane?
(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane has a molecular weight of 231.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 125485645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).