1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine

C16H17BrClNO — CID 43479903

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C16H17BrClNO/c1-19-15(9-11-3-6-13(18)7-4-11)12-5-8-16(20-2)14(17)10-12/h3-8,10,15,19H,9H2,1-2H3
InChIKeyRWWFMBRAENIOFH-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.61
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine

1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine (PubChem CID 43479903) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
PubChem CID43479903
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C16H17BrClNO/c1-19-15(9-11-3-6-13(18)7-4-11)12-5-8-16(20-2)14(17)10-12/h3-8,10,15,19H,9H2,1-2H3
InChIKeyRWWFMBRAENIOFH-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 43479969
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214776
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389754
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81284038
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032572
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43479915
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821781
1-(4-bromo-3-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81296013

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine (CID 43479903) is 1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is RWWFMBRAENIOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-19-15(9-11-3-6-13(18)7-4-11)12-5-8-16(20-2)14(17)10-12/h3-8,10,15,19H,9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine?
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 43479903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).