1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine

C15H14BrCl2NO — CID 63532866

IUPAC1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C15H14BrCl2NO/c1-9(19-2)10-6-7-13(11(16)8-10)20-14-5-3-4-12(17)15(14)18/h3-9,19H,1-2H3
InChIKeyYHGZOSGHHLKLHP-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.83
Rot. Bonds4

About 1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine

1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine (PubChem CID 63532866) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
PubChem CID63532866
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C15H14BrCl2NO/c1-9(19-2)10-6-7-13(11(16)8-10)20-14-5-3-4-12(17)15(14)18/h3-9,19H,1-2H3
InChIKeyYHGZOSGHHLKLHP-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-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine
CID 63531961
1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
CID 82976139
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
(1S)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130663868
(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130690836
[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine
CID 82798223
1-[3-bromo-4-(1-phenylethoxy)phenyl]-N-methylethanamine
CID 62910673
1-[3-bromo-4-(2-propan-2-yloxyethoxy)phenyl]-N-methylethanamine
CID 62912403
1-[3-bromo-4-(3-bromo-5-fluorophenoxy)phenyl]-N-methylethanamine
CID 81332054
1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285267
1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 60966128
1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 43106357

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine (CID 63532866) is 1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2cccc(Cl)c2Cl)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine?
The InChIKey is YHGZOSGHHLKLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-9(19-2)10-6-7-13(11(16)8-10)20-14-5-3-4-12(17)15(14)18/h3-9,19H,1-2H3.
What are the key properties of 1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine?
1-[3-bromo-4-(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-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 63532866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).