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

C17H26BrNO — CID 74070212

IUPAC7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
SMILESBr.CCC1N(C)C2CCCC1(c1cccc(OC)c1)C2
InChIInChI=1S/C17H25NO.BrH/c1-4-16-17(10-6-8-14(12-17)18(16)2)13-7-5-9-15(11-13)19-3;/h5,7,9,11,14,16H,4,6,8,10,12H2,1-3H3;1H
InChIKeyNMGQCDDVTXNZIZ-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.18
Rot. Bonds3

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

7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide (PubChem CID 74070212) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide.

Molecular Properties

Compound Name7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
PubChem CID74070212
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
SMILESBr.CCC1N(C)C2CCCC1(c1cccc(OC)c1)C2
InChIInChI=1S/C17H25NO.BrH/c1-4-16-17(10-6-8-14(12-17)18(16)2)13-7-5-9-15(11-13)19-3;/h5,7,9,11,14,16H,4,6,8,10,12H2,1-3H3;1H
InChIKeyNMGQCDDVTXNZIZ-UHFFFAOYSA-N
XLogP4.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-7-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
CID 3045730
(5aR,8aS)-5a-(3-methoxyphenyl)-2-methyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[c]azepin-1-one
CID 86736363
(4aS,8aS)-4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 13107984
(1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol
CID 16756733
2-benzyl-4a-(3-methoxyphenyl)-3-propyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 20534363
(4aS,8aS)-4a-(3-methoxyphenyl)-2-pentyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 22824824
4a-(3-methoxyphenyl)-2-octyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-ium bromide
CID 20534400
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954943
(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

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide?
The IUPAC name of 7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide (CID 74070212) is 7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide.
What is the SMILES notation for 7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide?
The canonical SMILES for 7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide is Br.CCC1N(C)C2CCCC1(c1cccc(OC)c1)C2.
What is the InChIKey of 7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide?
The InChIKey is NMGQCDDVTXNZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.BrH/c1-4-16-17(10-6-8-14(12-17)18(16)2)13-7-5-9-15(11-13)19-3;/h5,7,9,11,14,16H,4,6,8,10,12H2,1-3H3;1H.
What are the key properties of 7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide?
7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide has a molecular weight of 340.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide is sourced from PubChem (CID 74070212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).