1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine

C17H19Br2NO — CID 65433151

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C17H19Br2NO/c1-11-7-17(21-3)14(10-15(11)19)16(20-2)9-12-5-4-6-13(18)8-12/h4-8,10,16,20H,9H2,1-3H3
InChIKeyZKUJKBJOMQKAHV-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.03
Rot. Bonds5

About 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine

1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine (PubChem CID 65433151) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine
PubChem CID65433151
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C17H19Br2NO/c1-11-7-17(21-3)14(10-15(11)19)16(20-2)9-12-5-4-6-13(18)8-12/h4-8,10,16,20H,9H2,1-3H3
InChIKeyZKUJKBJOMQKAHV-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 65434304
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115818264
2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine
CID 63504239
[2-(3-bromophenyl)-1-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105202744
1-bromo-5-[bromo-(3-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432224
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
CID 65433149
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 103394564
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 62516727
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
2-(3-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylethanamine
CID 81045128

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine (CID 65433151) is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine is CNC(Cc1cccc(Br)c1)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine?
The InChIKey is ZKUJKBJOMQKAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-11-7-17(21-3)14(10-15(11)19)16(20-2)9-12-5-4-6-13(18)8-12/h4-8,10,16,20H,9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine?
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3-bromophenyl)-N-methylethanamine has a molecular weight of 413.15 g/mol, XLogP of 5.03, 5 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-bromophenyl)-N-methylethanamine is sourced from PubChem (CID 65433151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).