8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H18Br2N2O — CID 103416867

IUPAC8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cc(N2C3CCC2CC(N)C3)c(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O/c1-19-14-7-13(11(15)6-12(14)16)18-9-2-3-10(18)5-8(17)4-9/h6-10H,2-5,17H2,1H3
InChIKeyFTVSMPXIUJGPBQ-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.68
Rot. Bonds2

About 8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 103416867) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is 8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID103416867
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cc(N2C3CCC2CC(N)C3)c(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O/c1-19-14-7-13(11(15)6-12(14)16)18-9-2-3-10(18)5-8(17)4-9/h6-10H,2-5,17H2,1H3
InChIKeyFTVSMPXIUJGPBQ-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106709
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone
CID 61235332
9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714541
8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234951
8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740546
1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 103414445
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61235946
1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one
CID 103414426
8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55148889
8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62741066
8-(5-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55105946
8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739477

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 103416867) is 8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine is COc1cc(N2C3CCC2CC(N)C3)c(Br)cc1Br.
What is the InChIKey of 8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FTVSMPXIUJGPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-19-14-7-13(11(15)6-12(14)16)18-9-2-3-10(18)5-8(17)4-9/h6-10H,2-5,17H2,1H3.
What are the key properties of 8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 390.12 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 103416867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).