1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine

C16H17BrClNO — CID 61066107

IUPAC1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1OC)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H17BrClNO/c1-19-15(13-10-12(17)7-8-14(13)18)9-11-5-3-4-6-16(11)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyUFAZARORSSDURI-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.61
Rot. Bonds5

About 1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine

1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 61066107) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
PubChem CID61066107
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1OC)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H17BrClNO/c1-19-15(13-10-12(17)7-8-14(13)18)9-11-5-3-4-6-16(11)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyUFAZARORSSDURI-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-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 43480061
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63419933
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 105398790
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102619427
1-(5-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830664
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999
1-(2-bromo-4-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 107992250
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine (CID 61066107) is 1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccccc1OC)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is UFAZARORSSDURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-19-15(13-10-12(17)7-8-14(13)18)9-11-5-3-4-6-16(11)20-2/h3-8,10,15,19H,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-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-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 61066107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).