1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide

C15H22BrNO — CID 3045730

IUPAC1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
SMILESBr.COc1cccc(C23CCCC(C2)NC3C)c1
InChIInChI=1S/C15H21NO.BrH/c1-11-15(8-4-6-13(10-15)16-11)12-5-3-7-14(9-12)17-2;/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3;1H
InChIKeyQQSUOTHJFUQMCX-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.45
Rot. Bonds2

About 1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide

1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide (PubChem CID 3045730) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
PubChem CID3045730
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
SMILESBr.COc1cccc(C23CCCC(C2)NC3C)c1
InChIInChI=1S/C15H21NO.BrH/c1-11-15(8-4-6-13(10-15)16-11)12-5-3-7-14(9-12)17-2;/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3;1H
InChIKeyQQSUOTHJFUQMCX-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane
CID 125485645
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
(5aR,8aR)-5a-(3-methoxyphenyl)-2,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-1-one
CID 70607710
7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
CID 74070212
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
(1S,4S,5S)-4-methyl-5-(3-methylphenyl)-2-azabicyclo[3.3.1]nonane
CID 90832742
(5aR,8aS)-5a-(3-methoxyphenyl)-2-methyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[c]azepin-1-one
CID 86736363
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
3a-(3-methoxyphenyl)-1,1-dimethyl-3,4,5,6,7,7a-hexahydro-2H-indol-1-ium
CID 12838432
(4aS,8aS)-4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 13107984
5a-(3-methoxyphenyl)-2,4,5,6,7,8,9,9a-octahydro-1H-benzo[c]azepin-3-one
CID 21330649

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide?
The IUPAC name of 1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide (CID 3045730) is 1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide.
What is the SMILES notation for 1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide?
The canonical SMILES for 1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide is Br.COc1cccc(C23CCCC(C2)NC3C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide?
The InChIKey is QQSUOTHJFUQMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.BrH/c1-11-15(8-4-6-13(10-15)16-11)12-5-3-7-14(9-12)17-2;/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3;1H.
What are the key properties of 1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide?
1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide has a molecular weight of 312.25 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide is sourced from PubChem (CID 3045730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).