[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine

C14H13Br2NO2 — CID 114880011

IUPAC[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
SMILESCOc1ccc(Oc2cccc(Br)c2CN)c(Br)c1
InChIInChI=1S/C14H13Br2NO2/c1-18-9-5-6-14(12(16)7-9)19-13-4-2-3-11(15)10(13)8-17/h2-7H,8,17H2,1H3
InChIKeyAHQGCWMQQJBXPK-UHFFFAOYSA-N
MW387.07 g/mol
LogP4.47
Rot. Bonds4

About [2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine

[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine (PubChem CID 114880011) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is [2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
PubChem CID114880011
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
SMILESCOc1ccc(Oc2cccc(Br)c2CN)c(Br)c1
InChIInChI=1S/C14H13Br2NO2/c1-18-9-5-6-14(12(16)7-9)19-13-4-2-3-11(15)10(13)8-17/h2-7H,8,17H2,1H3
InChIKeyAHQGCWMQQJBXPK-UHFFFAOYSA-N
XLogP4.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 113443515
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine
CID 104708094
2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
CID 104708026
1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
CID 104707975
[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 114879942
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
[5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 104706400
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 104708330
[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine
CID 114879926
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine?
The IUPAC name of [2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine (CID 114880011) is [2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine?
The canonical SMILES for [2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine is COc1ccc(Oc2cccc(Br)c2CN)c(Br)c1.
What is the InChIKey of [2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine?
The InChIKey is AHQGCWMQQJBXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c1-18-9-5-6-14(12(16)7-9)19-13-4-2-3-11(15)10(13)8-17/h2-7H,8,17H2,1H3.
What are the key properties of [2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine?
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine has a molecular weight of 387.07 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine is sourced from PubChem (CID 114880011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).