1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine

C16H17Br2NO — CID 107284810

IUPAC1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1Oc1cc(Br)ccc1C
InChIInChI=1S/C16H17Br2NO/c1-10-4-5-12(17)8-15(10)20-16-9-13(18)6-7-14(16)11(2)19-3/h4-9,11,19H,1-3H3
InChIKeyGVSYDEZLKNOODR-UHFFFAOYSA-N
MW399.13 g/mol
LogP5.59
Rot. Bonds4

About 1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine

1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine (PubChem CID 107284810) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine
PubChem CID107284810
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1Oc1cc(Br)ccc1C
InChIInChI=1S/C16H17Br2NO/c1-10-4-5-12(17)8-15(10)20-16-9-13(18)6-7-14(16)11(2)19-3/h4-9,11,19H,1-3H3
InChIKeyGVSYDEZLKNOODR-UHFFFAOYSA-N
XLogP5.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.13
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82955278
1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982300
1-[4-bromo-2-[(3,4-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 102947591
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine
CID 82975637
1-(4-bromo-2-prop-2-enoxyphenyl)-N-methylethanamine
CID 102947422
1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine
CID 43285451
1-[4-bromo-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
CID 82976180
2-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]propanenitrile
CID 102947392
1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine
CID 82976080
3-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82976384
1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine
CID 82975510
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine (CID 107284810) is 1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(Br)cc1Oc1cc(Br)ccc1C.
What is the InChIKey of 1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine?
The InChIKey is GVSYDEZLKNOODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-10-4-5-12(17)8-15(10)20-16-9-13(18)6-7-14(16)11(2)19-3/h4-9,11,19H,1-3H3.
What are the key properties of 1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine?
1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine has a molecular weight of 399.13 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 107284810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).