9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H25BrN2O — CID 82859648

IUPAC9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2c1cc(Br)cc(OC)c1
InChIInChI=1S/C17H25BrN2O/c1-3-19-13-9-14-5-4-6-15(10-13)20(14)16-7-12(18)8-17(11-16)21-2/h7-8,11,13-15,19H,3-6,9-10H2,1-2H3
InChIKeyOQAUUGLYVLUAQP-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.96
Rot. Bonds4

About 9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 82859648) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID82859648
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2c1cc(Br)cc(OC)c1
InChIInChI=1S/C17H25BrN2O/c1-3-19-13-9-14-5-4-6-15(10-13)20(14)16-7-12(18)8-17(11-16)21-2/h7-8,11,13-15,19H,3-6,9-10H2,1-2H3
InChIKeyOQAUUGLYVLUAQP-UHFFFAOYSA-N
XLogP3.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740381
N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712529
9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713433
9-(3,5-dichloro-4-fluorophenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107579272
8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107579254
9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713793
N-ethyl-9-(4-methylsulfanylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712731
9-(3-chloro-5-fluorophenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107370684
9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106268
3-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzonitrile
CID 62712716
9-(3-bromo-2-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639351
N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740321

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 82859648) is 9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2c1cc(Br)cc(OC)c1.
What is the InChIKey of 9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is OQAUUGLYVLUAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-19-13-9-14-5-4-6-15(10-13)20(14)16-7-12(18)8-17(11-16)21-2/h7-8,11,13-15,19H,3-6,9-10H2,1-2H3.
What are the key properties of 9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 353.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 82859648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).