1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine

C15H14BrCl2NO — CID 82976139

IUPAC1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-9(19-2)11-8-10(16)6-7-13(11)20-14-5-3-4-12(17)15(14)18/h3-9,19H,1-2H3
InChIKeyAQAYSHYMLCLUOJ-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.83
Rot. Bonds4

About 1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine

1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine (PubChem CID 82976139) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
PubChem CID82976139
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-9(19-2)11-8-10(16)6-7-13(11)20-14-5-3-4-12(17)15(14)18/h3-9,19H,1-2H3
InChIKeyAQAYSHYMLCLUOJ-UHFFFAOYSA-N
XLogP5.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.09
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305892
1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
CID 63532866
1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine
CID 82976164
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine
CID 82975637
[5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol
CID 114061460
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 115402371
1-[5-bromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-methylethanamine
CID 106597369
1-[2-(4-bromo-2-nitrophenoxy)phenyl]-N-methylethanamine
CID 65430547
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide
CID 82955481
1-[2-(2-bromophenoxy)phenyl]-N-methylethanamine
CID 43284837

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine (CID 82976139) is 1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine is CNC(C)c1cc(Br)ccc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine?
The InChIKey is AQAYSHYMLCLUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-9(19-2)11-8-10(16)6-7-13(11)20-14-5-3-4-12(17)15(14)18/h3-9,19H,1-2H3.
What are the key properties of 1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine?
1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine has a molecular weight of 375.09 g/mol, XLogP of 5.83, 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-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 82976139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).