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

C17H25BrN2O — CID 62740382

IUPAC8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1cc(Br)ccc1OC
InChIInChI=1S/C17H25BrN2O/c1-3-8-19-13-10-14-5-6-15(11-13)20(14)16-9-12(18)4-7-17(16)21-2/h4,7,9,13-15,19H,3,5-6,8,10-11H2,1-2H3
InChIKeySTDJEHQYZIMXLL-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.96
Rot. Bonds5

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

8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740382) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740382
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1cc(Br)ccc1OC
InChIInChI=1S/C17H25BrN2O/c1-3-8-19-13-10-14-5-6-15(11-13)20(14)16-9-12(18)4-7-17(16)21-2/h4,7,9,13-15,19H,3,5-6,8,10-11H2,1-2H3
InChIKeySTDJEHQYZIMXLL-UHFFFAOYSA-N
XLogP3.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

8-(5-bromo-2-methoxyphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740381
9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713435
8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739604
8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739794
8-(4-bromo-2-chlorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740346
8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739651
9-(2-bromo-4-chlorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81256584
9-(2-bromo-5-fluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639383
9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713433
4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 12773157
1-(2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 43315083
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579

Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62740382) is 8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2c1cc(Br)ccc1OC.
What is the InChIKey of 8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is STDJEHQYZIMXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-8-19-13-10-14-5-6-15(11-13)20(14)16-9-12(18)4-7-17(16)21-2/h4,7,9,13-15,19H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of 8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 353.30 g/mol, XLogP of 3.96, 5 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-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).