8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C16H23BrN2O — CID 62740381

IUPAC8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cc(Br)ccc1OC
InChIInChI=1S/C16H23BrN2O/c1-3-18-12-9-13-5-6-14(10-12)19(13)15-8-11(17)4-7-16(15)20-2/h4,7-8,12-14,18H,3,5-6,9-10H2,1-2H3
InChIKeyRAHAJFRGUFPSME-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.57
Rot. Bonds4

About 8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740381) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740381
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cc(Br)ccc1OC
InChIInChI=1S/C16H23BrN2O/c1-3-18-12-9-13-5-6-14(10-12)19(13)15-8-11(17)4-7-16(15)20-2/h4,7-8,12-14,18H,3,5-6,9-10H2,1-2H3
InChIKeyRAHAJFRGUFPSME-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740382
8-(4-bromo-2-chlorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740346
9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 82859648
8-(4-bromo-2,5-difluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107617029
8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107639352
8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107579254
8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107608015
9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713435
8-(2-chloro-5-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107531408
9-(3-bromo-2-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639351
9-(4-bromo-2-ethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81289517
8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106709

Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62740381) is 8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1cc(Br)ccc1OC.
What is the InChIKey of 8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is RAHAJFRGUFPSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-18-12-9-13-5-6-14(10-12)19(13)15-8-11(17)4-7-16(15)20-2/h4,7-8,12-14,18H,3,5-6,9-10H2,1-2H3.
What are the key properties of 8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 339.28 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).