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

C13H10BrClFNO — CID 79516224

IUPAC[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C13H10BrClFNO/c14-10-6-8(15)4-5-13(10)18-12-3-1-2-11(16)9(12)7-17/h1-6H,7,17H2
InChIKeyNOCBODNMLXRXCY-UHFFFAOYSA-N
MW330.58 g/mol
LogP4.49
Rot. Bonds3

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

[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine (PubChem CID 79516224) has the molecular formula C13H10BrClFNO and a molecular weight of 330.58 g/mol. Its IUPAC name is [2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
PubChem CID79516224
Molecular FormulaC13H10BrClFNO
Molecular Weight330.58 g/mol
Exact Mass328.96
IUPAC Name[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C13H10BrClFNO/c14-10-6-8(15)4-5-13(10)18-12-3-1-2-11(16)9(12)7-17/h1-6H,7,17H2
InChIKeyNOCBODNMLXRXCY-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromophenoxy)-6-fluorophenyl]methanamine
CID 79517645
2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline
CID 60789446
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
CID 107283243
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine
CID 63377591
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine?
The IUPAC name of [2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine (CID 79516224) is [2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine is NCc1c(F)cccc1Oc1ccc(Cl)cc1Br.
What is the InChIKey of [2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine?
The InChIKey is NOCBODNMLXRXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO/c14-10-6-8(15)4-5-13(10)18-12-3-1-2-11(16)9(12)7-17/h1-6H,7,17H2.
What are the key properties of [2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine?
[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine has a molecular weight of 330.58 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine is sourced from PubChem (CID 79516224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).