2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol

C11H16BrNO3 — CID 83933754

IUPAC2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol
SMILESCOc1ccc(Br)cc1C(O)C(N)CCO
InChIInChI=1S/C11H16BrNO3/c1-16-10-3-2-7(12)6-8(10)11(15)9(13)4-5-14/h2-3,6,9,11,14-15H,4-5,13H2,1H3
InChIKeyVZKSXPUEQUSICT-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.20
Rot. Bonds5

About 2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol

2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol (PubChem CID 83933754) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol
PubChem CID83933754
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol
SMILESCOc1ccc(Br)cc1C(O)C(N)CCO
InChIInChI=1S/C11H16BrNO3/c1-16-10-3-2-7(12)6-8(10)11(15)9(13)4-5-14/h2-3,6,9,11,14-15H,4-5,13H2,1H3
InChIKeyVZKSXPUEQUSICT-UHFFFAOYSA-N
XLogP1.20
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-bromo-4,5-dimethoxyphenyl)butane-1,4-diol
CID 83943810
2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol
CID 83933857
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
2-amino-1-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diol
CID 83943166
1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol
CID 79415351
2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol
CID 103376821
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
3-(5-bromo-2-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79129107
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol?
The IUPAC name of 2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol (CID 83933754) is 2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol.
What is the SMILES notation for 2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol?
The canonical SMILES for 2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol is COc1ccc(Br)cc1C(O)C(N)CCO.
What is the InChIKey of 2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol?
The InChIKey is VZKSXPUEQUSICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-16-10-3-2-7(12)6-8(10)11(15)9(13)4-5-14/h2-3,6,9,11,14-15H,4-5,13H2,1H3.
What are the key properties of 2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol?
2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol has a molecular weight of 290.16 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol is sourced from PubChem (CID 83933754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).