[5-bromo-2-(3-bromophenoxy)phenyl]methanamine

C13H11Br2NO — CID 114889905

IUPAC[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1Oc1cccc(Br)c1
InChIInChI=1S/C13H11Br2NO/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H,8,16H2
InChIKeyMJSRIHZGCLBYEG-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.46
Rot. Bonds3

About [5-bromo-2-(3-bromophenoxy)phenyl]methanamine

[5-bromo-2-(3-bromophenoxy)phenyl]methanamine (PubChem CID 114889905) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is [5-bromo-2-(3-bromophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
PubChem CID114889905
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1Oc1cccc(Br)c1
InChIInChI=1S/C13H11Br2NO/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H,8,16H2
InChIKeyMJSRIHZGCLBYEG-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
[5-bromo-2-(3-bromophenoxy)phenyl]methanol
CID 114061472
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
(5-bromo-2-naphthalen-1-yloxyphenyl)methanamine
CID 114889861
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol
CID 107708359
[5-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62935735
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385388
[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114889837
[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine
CID 81251221

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-bromophenoxy)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(3-bromophenoxy)phenyl]methanamine (CID 114889905) is [5-bromo-2-(3-bromophenoxy)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(3-bromophenoxy)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(3-bromophenoxy)phenyl]methanamine is NCc1cc(Br)ccc1Oc1cccc(Br)c1.
What is the InChIKey of [5-bromo-2-(3-bromophenoxy)phenyl]methanamine?
The InChIKey is MJSRIHZGCLBYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H,8,16H2.
What are the key properties of [5-bromo-2-(3-bromophenoxy)phenyl]methanamine?
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine has a molecular weight of 357.05 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-bromophenoxy)phenyl]methanamine is sourced from PubChem (CID 114889905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).