[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine

C14H13BrClNO — CID 114879926

IUPAC[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine
SMILESCc1ccc(Cl)c(Oc2cccc(Br)c2CN)c1
InChIInChI=1S/C14H13BrClNO/c1-9-5-6-12(16)14(7-9)18-13-4-2-3-11(15)10(13)8-17/h2-7H,8,17H2,1H3
InChIKeyWQVBYCGDDPNSMC-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.66
Rot. Bonds3

About [2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine

[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine (PubChem CID 114879926) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is [2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine
PubChem CID114879926
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine
SMILESCc1ccc(Cl)c(Oc2cccc(Br)c2CN)c1
InChIInChI=1S/C14H13BrClNO/c1-9-5-6-12(16)14(7-9)18-13-4-2-3-11(15)10(13)8-17/h2-7H,8,17H2,1H3
InChIKeyWQVBYCGDDPNSMC-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926522
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine?
The IUPAC name of [2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine (CID 114879926) is [2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine?
The canonical SMILES for [2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine is Cc1ccc(Cl)c(Oc2cccc(Br)c2CN)c1.
What is the InChIKey of [2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine?
The InChIKey is WQVBYCGDDPNSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9-5-6-12(16)14(7-9)18-13-4-2-3-11(15)10(13)8-17/h2-7H,8,17H2,1H3.
What are the key properties of [2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine?
[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine has a molecular weight of 326.62 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine is sourced from PubChem (CID 114879926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).