1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine

C16H16BrCl2NO — CID 65440865

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESCOc1cc(C)c(Br)cc1C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16BrCl2NO/c1-9-5-16(21-2)11(8-12(9)17)15(20)7-10-3-4-13(18)14(19)6-10/h3-6,8,15H,7,20H2,1-2H3
InChIKeyFPLWIILRUGEKOX-UHFFFAOYSA-N
MW389.12 g/mol
LogP5.32
Rot. Bonds4

About 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine

1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine (PubChem CID 65440865) has the molecular formula C16H16BrCl2NO and a molecular weight of 389.12 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
PubChem CID65440865
Molecular FormulaC16H16BrCl2NO
Molecular Weight389.12 g/mol
Exact Mass386.98
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESCOc1cc(C)c(Br)cc1C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16BrCl2NO/c1-9-5-16(21-2)11(8-12(9)17)15(20)7-10-3-4-13(18)14(19)6-10/h3-6,8,15H,7,20H2,1-2H3
InChIKeyFPLWIILRUGEKOX-UHFFFAOYSA-N
XLogP5.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.12
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62795612
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine
CID 103394333
1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433000
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 81473930
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine
CID 65440683
2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79807982
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 115483724
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538802
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine (CID 65440865) is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine is COc1cc(C)c(Br)cc1C(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine?
The InChIKey is FPLWIILRUGEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NO/c1-9-5-16(21-2)11(8-12(9)17)15(20)7-10-3-4-13(18)14(19)6-10/h3-6,8,15H,7,20H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine?
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine has a molecular weight of 389.12 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 65440865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).