2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine

C16H17BrClNO — CID 115817066

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H17BrClNO/c1-10-3-4-11(8-14(10)18)15(19)9-12-7-13(17)5-6-16(12)20-2/h3-8,15H,9,19H2,1-2H3
InChIKeyAISRKGSVNHLAIA-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.66
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine

2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine (PubChem CID 115817066) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
PubChem CID115817066
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H17BrClNO/c1-10-3-4-11(8-14(10)18)15(19)9-12-7-13(17)5-6-16(12)20-2/h3-8,15H,9,19H2,1-2H3
InChIKeyAISRKGSVNHLAIA-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

2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 115816754
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine
CID 43318134
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 63194534
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine (CID 115817066) is 2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine is COc1ccc(Br)cc1CC(N)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine?
The InChIKey is AISRKGSVNHLAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-10-3-4-11(8-14(10)18)15(19)9-12-7-13(17)5-6-16(12)20-2/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine?
2-(5-bromo-2-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-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine is sourced from PubChem (CID 115817066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).