[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine

C13H10BrCl2NO — CID 28966393

IUPAC[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO/c14-8-4-5-13(11(16)6-8)18-12-3-1-2-10(15)9(12)7-17/h1-6H,7,17H2
InChIKeyWEXCBROGDHXXBB-UHFFFAOYSA-N
MW347.04 g/mol
LogP5.01
Rot. Bonds3

About [2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine

[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine (PubChem CID 28966393) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is [2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
PubChem CID28966393
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO/c14-8-4-5-13(11(16)6-8)18-12-3-1-2-10(15)9(12)7-17/h1-6H,7,17H2
InChIKeyWEXCBROGDHXXBB-UHFFFAOYSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.04
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene
CID 107088464
2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
2-[3-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63942549
1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene
CID 107087872
2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide
CID 115993018

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine?
The IUPAC name of [2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine (CID 28966393) is [2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine.
What is the SMILES notation for [2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine?
The canonical SMILES for [2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine is NCc1c(Cl)cccc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of [2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine?
The InChIKey is WEXCBROGDHXXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c14-8-4-5-13(11(16)6-8)18-12-3-1-2-10(15)9(12)7-17/h1-6H,7,17H2.
What are the key properties of [2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine?
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine has a molecular weight of 347.04 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine is sourced from PubChem (CID 28966393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).