3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine

C16H17Br2NO — CID 79438085

IUPAC3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C16H17Br2NO/c1-20-16-7-2-11(9-15(16)18)8-13(10-19)12-3-5-14(17)6-4-12/h2-7,9,13H,8,10,19H2,1H3
InChIKeyVSGRKKMTGWTGGS-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.51
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine

3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine (PubChem CID 79438085) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
PubChem CID79438085
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C16H17Br2NO/c1-20-16-7-2-11(9-15(16)18)8-13(10-19)12-3-5-14(17)6-4-12/h2-7,9,13H,8,10,19H2,1H3
InChIKeyVSGRKKMTGWTGGS-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 112538811
[1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79430417
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001
2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442413
4-[3-bromo-2-(4-bromophenyl)propyl]-2-fluoro-1-methoxybenzene
CID 79434131
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
CID 82160848
3-(3-bromo-4-methoxyphenyl)-2-methylpropanethioamide
CID 83926107
2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine
CID 155432883

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine (CID 79438085) is 3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine is COc1ccc(CC(CN)c2ccc(Br)cc2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine?
The InChIKey is VSGRKKMTGWTGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-20-16-7-2-11(9-15(16)18)8-13(10-19)12-3-5-14(17)6-4-12/h2-7,9,13H,8,10,19H2,1H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine?
3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine has a molecular weight of 399.13 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine is sourced from PubChem (CID 79438085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).