2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine

C15H14Br3NO — CID 107974001

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(Br)cc(Br)c2)cc1Br
InChIInChI=1S/C15H14Br3NO/c1-20-15-3-2-9(4-13(15)18)5-14(19)10-6-11(16)8-12(17)7-10/h2-4,6-8,14H,5,19H2,1H3
InChIKeyHAROVJBEYIDSSW-UHFFFAOYSA-N
MW464.00 g/mol
LogP5.23
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine

2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine (PubChem CID 107974001) has the molecular formula C15H14Br3NO and a molecular weight of 464.00 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
PubChem CID107974001
Molecular FormulaC15H14Br3NO
Molecular Weight464.00 g/mol
Exact Mass460.86
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(Br)cc(Br)c2)cc1Br
InChIInChI=1S/C15H14Br3NO/c1-20-15-3-2-9(4-13(15)18)5-14(19)10-6-11(16)8-12(17)7-10/h2-4,6-8,14H,5,19H2,1H3
InChIKeyHAROVJBEYIDSSW-UHFFFAOYSA-N
XLogP5.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.00
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
2-(3-bromo-4-methoxyphenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115817818
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
2-amino-3-(3-bromo-4-methoxyphenyl)propanenitrile
CID 102548362
3-(3-bromo-4-methoxyphenyl)-2-methylpropanethioamide
CID 83926107
1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine
CID 107973873
1-(3,5-dibromophenyl)-2-(4-methylphenyl)ethanamine
CID 107973615
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine (CID 107974001) is 2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine is COc1ccc(CC(N)c2cc(Br)cc(Br)c2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine?
The InChIKey is HAROVJBEYIDSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3NO/c1-20-15-3-2-9(4-13(15)18)5-14(19)10-6-11(16)8-12(17)7-10/h2-4,6-8,14H,5,19H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine?
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine has a molecular weight of 464.00 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine is sourced from PubChem (CID 107974001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).