2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine

C13H19Br2NO2 — CID 83046199

IUPAC2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine
SMILESCCCC(CNC)Oc1cc(Br)c(OC)cc1Br
InChIInChI=1S/C13H19Br2NO2/c1-4-5-9(8-16-2)18-13-7-10(14)12(17-3)6-11(13)15/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyPLFSUTIJSBQMQV-UHFFFAOYSA-N
MW381.11 g/mol
LogP3.99
Rot. Bonds7

About 2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine

2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine (PubChem CID 83046199) has the molecular formula C13H19Br2NO2 and a molecular weight of 381.11 g/mol. Its IUPAC name is 2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine
PubChem CID83046199
Molecular FormulaC13H19Br2NO2
Molecular Weight381.11 g/mol
Exact Mass378.98
IUPAC Name2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine
SMILESCCCC(CNC)Oc1cc(Br)c(OC)cc1Br
InChIInChI=1S/C13H19Br2NO2/c1-4-5-9(8-16-2)18-13-7-10(14)12(17-3)6-11(13)15/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyPLFSUTIJSBQMQV-UHFFFAOYSA-N
XLogP3.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.11
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,5-dichlorophenoxy)-N-methylpentan-1-amine
CID 107661046
2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine
CID 79404261
2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
CID 114676924
N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 105056755
1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
CID 102111957
(1S,2R)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171271146
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171265473
2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 83044503
2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
CID 83043988
4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine
CID 79404179
N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine
CID 83045840

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine?
The IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine (CID 83046199) is 2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine is CCCC(CNC)Oc1cc(Br)c(OC)cc1Br.
What is the InChIKey of 2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine?
The InChIKey is PLFSUTIJSBQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO2/c1-4-5-9(8-16-2)18-13-7-10(14)12(17-3)6-11(13)15/h6-7,9,16H,4-5,8H2,1-3H3.
What are the key properties of 2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine?
2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine has a molecular weight of 381.11 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 83046199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).