6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane

C17H25NO — CID 70571387

IUPAC6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane
SMILESCOc1cccc(C2CC(C)C3CC2C(C)CN3)c1
InChIInChI=1S/C17H25NO/c1-11-7-16(13-5-4-6-14(8-13)19-3)15-9-17(11)18-10-12(15)2/h4-6,8,11-12,15-18H,7,9-10H2,1-3H3
InChIKeyUGILUHBGFUUQCC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.43
Rot. Bonds2

About 6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane

6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane (PubChem CID 70571387) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane
PubChem CID70571387
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane
SMILESCOc1cccc(C2CC(C)C3CC2C(C)CN3)c1
InChIInChI=1S/C17H25NO/c1-11-7-16(13-5-4-6-14(8-13)19-3)15-9-17(11)18-10-12(15)2/h4-6,8,11-12,15-18H,7,9-10H2,1-3H3
InChIKeyUGILUHBGFUUQCC-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide
CID 173433991
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 126653334
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
2-(3-methoxyphenyl)-5-methyl-1,3-oxazolidine
CID 82281613
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
CID 139798871
1-[2-(3-methoxyphenyl)cyclopropyl]ethanol
CID 43828915

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane?
The IUPAC name of 6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane (CID 70571387) is 6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for 6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane is COc1cccc(C2CC(C)C3CC2C(C)CN3)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane?
The InChIKey is UGILUHBGFUUQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-7-16(13-5-4-6-14(8-13)19-3)15-9-17(11)18-10-12(15)2/h4-6,8,11-12,15-18H,7,9-10H2,1-3H3.
What are the key properties of 6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane?
6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane has a molecular weight of 259.39 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 70571387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).