2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine

C10H13Br2NO2 — CID 79415829

IUPAC2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine
SMILESCOc1cc(Br)c(OC(C)CN)cc1Br
InChIInChI=1S/C10H13Br2NO2/c1-6(5-13)15-10-4-7(11)9(14-2)3-8(10)12/h3-4,6H,5,13H2,1-2H3
InChIKeyZHQQPGZEIIAHCX-UHFFFAOYSA-N
MW339.03 g/mol
LogP2.95
Rot. Bonds4

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

2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine (PubChem CID 79415829) has the molecular formula C10H13Br2NO2 and a molecular weight of 339.03 g/mol. Its IUPAC name is 2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine
PubChem CID79415829
Molecular FormulaC10H13Br2NO2
Molecular Weight339.03 g/mol
Exact Mass336.93
IUPAC Name2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine
SMILESCOc1cc(Br)c(OC(C)CN)cc1Br
InChIInChI=1S/C10H13Br2NO2/c1-6(5-13)15-10-4-7(11)9(14-2)3-8(10)12/h3-4,6H,5,13H2,1-2H3
InChIKeyZHQQPGZEIIAHCX-UHFFFAOYSA-N
XLogP2.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2,5-dibromo-4-methoxyphenoxy)butanoic acid
CID 103548086
3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
CID 79403989
2-(2,5-dibromo-4-methoxyphenoxy)-N-prop-2-ynylpropan-1-amine
CID 79403408
4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine
CID 79404179
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816
2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine
CID 79415742
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-(4-bromo-2-chloro-5-fluorophenoxy)propan-1-amine
CID 126976561
2-(2,5-dibromo-4-methoxyphenoxy)butanethioamide
CID 79416082
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine?
The IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine (CID 79415829) is 2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine.
What is the SMILES notation for 2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine?
The canonical SMILES for 2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine is COc1cc(Br)c(OC(C)CN)cc1Br.
What is the InChIKey of 2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine?
The InChIKey is ZHQQPGZEIIAHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2/c1-6(5-13)15-10-4-7(11)9(14-2)3-8(10)12/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine?
2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine has a molecular weight of 339.03 g/mol, XLogP of 2.95, 4 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)propan-1-amine is sourced from PubChem (CID 79415829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).