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

C15H14BrCl2NO — CID 82976164

IUPAC1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14BrCl2NO/c1-9(19-2)14-5-10(16)3-4-15(14)20-13-7-11(17)6-12(18)8-13/h3-9,19H,1-2H3
InChIKeyCUHVWYAZAAZNRX-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.83
Rot. Bonds4

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

1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine (PubChem CID 82976164) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine
PubChem CID82976164
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14BrCl2NO/c1-9(19-2)14-5-10(16)3-4-15(14)20-13-7-11(17)6-12(18)8-13/h3-9,19H,1-2H3
InChIKeyCUHVWYAZAAZNRX-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-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 115402371
1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
CID 82976139
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide
CID 82955481
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine
CID 82975637
4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-2-fluorobenzonitrile
CID 82955138
1-[5-bromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-methylethanamine
CID 106597369
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
5-bromo-2-(3,5-dichlorophenoxy)benzonitrile
CID 114891024
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
1-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine
CID 43286017
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine (CID 82976164) is 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine is CNC(C)c1cc(Br)ccc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine?
The InChIKey is CUHVWYAZAAZNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-9(19-2)14-5-10(16)3-4-15(14)20-13-7-11(17)6-12(18)8-13/h3-9,19H,1-2H3.
What are the key properties of 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine?
1-[5-bromo-2-(3,5-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-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 82976164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).