[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine

C13H10Br2FNO — CID 102814717

IUPAC[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
SMILESNCc1cc(Br)cc(Oc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C13H10Br2FNO/c14-9-1-8(7-17)2-12(4-9)18-13-5-10(15)3-11(16)6-13/h1-6H,7,17H2
InChIKeyAIASGRJVLQFBJK-UHFFFAOYSA-N
MW375.04 g/mol
LogP4.60
Rot. Bonds3

About [3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine

[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine (PubChem CID 102814717) has the molecular formula C13H10Br2FNO and a molecular weight of 375.04 g/mol. Its IUPAC name is [3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
PubChem CID102814717
Molecular FormulaC13H10Br2FNO
Molecular Weight375.04 g/mol
Exact Mass372.91
IUPAC Name[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
SMILESNCc1cc(Br)cc(Oc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C13H10Br2FNO/c14-9-1-8(7-17)2-12(4-9)18-13-5-10(15)3-11(16)6-13/h1-6H,7,17H2
InChIKeyAIASGRJVLQFBJK-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.04
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-5-(5-bromo-2-fluorophenoxy)phenyl]methanamine
CID 102814762
[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 105407437
[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 102814623
[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 81332068
(3-bromo-5-methoxyphenyl)methanamine
CID 53414441
[3-(4-bromo-2,5-dichlorophenoxy)-5-fluorophenyl]methanamine
CID 107655084
[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine
CID 102814582
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
[3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 102814464
[3-(aminomethyl)-5-fluorophenoxy]boronic acid
CID 151788480
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene
CID 107088900

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine (CID 102814717) is [3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine is NCc1cc(Br)cc(Oc2cc(F)cc(Br)c2)c1.
What is the InChIKey of [3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine?
The InChIKey is AIASGRJVLQFBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNO/c14-9-1-8(7-17)2-12(4-9)18-13-5-10(15)3-11(16)6-13/h1-6H,7,17H2.
What are the key properties of [3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine?
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine has a molecular weight of 375.04 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine is sourced from PubChem (CID 102814717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).