1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine

C16H17Br2NO2 — CID 115817615

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1ccc(Br)cc1OC
InChIInChI=1S/C16H17Br2NO2/c1-20-15-6-4-11(17)7-10(15)8-14(19)13-5-3-12(18)9-16(13)21-2/h3-7,9,14H,8,19H2,1-2H3
InChIKeyPLXALPGEZFQECD-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.47
Rot. Bonds5

About 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine

1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine (PubChem CID 115817615) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
PubChem CID115817615
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1ccc(Br)cc1OC
InChIInChI=1S/C16H17Br2NO2/c1-20-15-6-4-11(17)7-10(15)8-14(19)13-5-3-12(18)9-16(13)21-2/h3-7,9,14H,8,19H2,1-2H3
InChIKeyPLXALPGEZFQECD-UHFFFAOYSA-N
XLogP4.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 115369401
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800843
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787
1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine
CID 115864418

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine (CID 115817615) is 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine is COc1ccc(Br)cc1CC(N)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine?
The InChIKey is PLXALPGEZFQECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-20-15-6-4-11(17)7-10(15)8-14(19)13-5-3-12(18)9-16(13)21-2/h3-7,9,14H,8,19H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine?
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine has a molecular weight of 415.13 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 115817615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).