3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine

C11H15Br2NO2 — CID 79403989

IUPAC3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
SMILESCOc1cc(Br)c(OCC(C)CN)cc1Br
InChIInChI=1S/C11H15Br2NO2/c1-7(5-14)6-16-11-4-8(12)10(15-2)3-9(11)13/h3-4,7H,5-6,14H2,1-2H3
InChIKeyMLPBBLVWYWVTDO-UHFFFAOYSA-N
MW353.05 g/mol
LogP3.19
Rot. Bonds5

About 3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine

3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine (PubChem CID 79403989) has the molecular formula C11H15Br2NO2 and a molecular weight of 353.05 g/mol. Its IUPAC name is 3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
PubChem CID79403989
Molecular FormulaC11H15Br2NO2
Molecular Weight353.05 g/mol
Exact Mass350.95
IUPAC Name3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
SMILESCOc1cc(Br)c(OCC(C)CN)cc1Br
InChIInChI=1S/C11H15Br2NO2/c1-7(5-14)6-16-11-4-8(12)10(15-2)3-9(11)13/h3-4,7H,5-6,14H2,1-2H3
InChIKeyMLPBBLVWYWVTDO-UHFFFAOYSA-N
XLogP3.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.05
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine
CID 43531039
3-(2,5-dibromo-4-methoxyphenoxy)-2-methyl-N-propylpropan-1-amine
CID 79403153
2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine
CID 79415829
3-(4-bromo-2,5-dichlorophenoxy)-2-methylpropan-1-amine
CID 107659698
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
5-(2,5-dibromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide
CID 79406228
1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol
CID 79415250
1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid
CID 103372362

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine?
The IUPAC name of 3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine (CID 79403989) is 3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine is COc1cc(Br)c(OCC(C)CN)cc1Br.
What is the InChIKey of 3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine?
The InChIKey is MLPBBLVWYWVTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2/c1-7(5-14)6-16-11-4-8(12)10(15-2)3-9(11)13/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine?
3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine has a molecular weight of 353.05 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 79403989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).