6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide

C18H28BrNO — CID 173433991

IUPAC6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide
SMILESBr.COc1cccc(C2CC(C)C3(C)CC2C(C)CN3)c1
InChIInChI=1S/C18H27NO.BrH/c1-12-11-19-18(3)10-17(12)16(8-13(18)2)14-6-5-7-15(9-14)20-4;/h5-7,9,12-13,16-17,19H,8,10-11H2,1-4H3;1H
InChIKeyQXDVWQCMXLYWPN-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.40
Rot. Bonds2

About 6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide

6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide (PubChem CID 173433991) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide
PubChem CID173433991
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide
SMILESBr.COc1cccc(C2CC(C)C3(C)CC2C(C)CN3)c1
InChIInChI=1S/C18H27NO.BrH/c1-12-11-19-18(3)10-17(12)16(8-13(18)2)14-6-5-7-15(9-14)20-4;/h5-7,9,12-13,16-17,19H,8,10-11H2,1-4H3;1H
InChIKeyQXDVWQCMXLYWPN-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane
CID 70571387
2-(methoxymethyl)-4-(3-methoxyphenyl)-2-methylpyrrolidine
CID 117270796
(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 126653334
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
CID 79317793
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide?
The IUPAC name of 6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide (CID 173433991) is 6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide.
What is the SMILES notation for 6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide?
The canonical SMILES for 6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide is Br.COc1cccc(C2CC(C)C3(C)CC2C(C)CN3)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide?
The InChIKey is QXDVWQCMXLYWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.BrH/c1-12-11-19-18(3)10-17(12)16(8-13(18)2)14-6-5-7-15(9-14)20-4;/h5-7,9,12-13,16-17,19H,8,10-11H2,1-4H3;1H.
What are the key properties of 6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide?
6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide has a molecular weight of 354.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1,4,8-trimethyl-2-azabicyclo[3.3.1]nonane;hydrobromide is sourced from PubChem (CID 173433991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).