2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine

C16H17BrClNO — CID 115817898

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(C)c(Cl)c2)cc1Br
InChIInChI=1S/C16H17BrClNO/c1-10-3-5-12(9-14(10)18)15(19)8-11-4-6-16(20-2)13(17)7-11/h3-7,9,15H,8,19H2,1-2H3
InChIKeyDRZLTDSKCAPWBU-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.66
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine

2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine (PubChem CID 115817898) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
PubChem CID115817898
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(C)c(Cl)c2)cc1Br
InChIInChI=1S/C16H17BrClNO/c1-10-3-5-12(9-14(10)18)15(19)8-11-4-6-16(20-2)13(17)7-11/h3-7,9,15H,8,19H2,1-2H3
InChIKeyDRZLTDSKCAPWBU-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 63194534
2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817066
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
1-(3-chloro-4-methylphenyl)-2-phenylethanamine
CID 55162176
2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804312
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine (CID 115817898) is 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine is COc1ccc(CC(N)c2ccc(C)c(Cl)c2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine?
The InChIKey is DRZLTDSKCAPWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-10-3-5-12(9-14(10)18)15(19)8-11-4-6-16(20-2)13(17)7-11/h3-7,9,15H,8,19H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine?
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.66, 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-chloro-4-methylphenyl)ethanamine is sourced from PubChem (CID 115817898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).