1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine

C16H17Br2NO2 — CID 103523005

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2ccccc2Br)c(OC)c1Br
InChIInChI=1S/C16H17Br2NO2/c1-16(19,10-6-4-5-7-12(10)17)11-8-9-13(20-2)14(18)15(11)21-3/h4-9H,19H2,1-3H3
InChIKeyWBWAWCRNZLXBQD-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.45
Rot. Bonds4

About 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine

1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine (PubChem CID 103523005) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
PubChem CID103523005
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2ccccc2Br)c(OC)c1Br
InChIInChI=1S/C16H17Br2NO2/c1-16(19,10-6-4-5-7-12(10)17)11-8-9-13(20-2)14(18)15(11)21-3/h4-9H,19H2,1-3H3
InChIKeyWBWAWCRNZLXBQD-UHFFFAOYSA-N
XLogP4.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
CID 103522810
1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 103522997
1-(2-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807426
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 103524210
2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine
CID 103523035
1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 55120471
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
CID 62500949
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)-3,3,3-trifluoropropanoic acid
CID 103523841
1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659022
4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol
CID 103522937
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine
CID 103524213

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine (CID 103523005) is 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine is COc1ccc(C(C)(N)c2ccccc2Br)c(OC)c1Br.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine?
The InChIKey is WBWAWCRNZLXBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-16(19,10-6-4-5-7-12(10)17)11-8-9-13(20-2)14(18)15(11)21-3/h4-9H,19H2,1-3H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine?
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine has a molecular weight of 415.13 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine is sourced from PubChem (CID 103523005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).