2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol

C10H14BrNO3 — CID 84714339

IUPAC2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(N)CO)c(OC)c1Br
InChIInChI=1S/C10H14BrNO3/c1-14-8-4-3-6(7(12)5-13)10(15-2)9(8)11/h3-4,7,13H,5,12H2,1-2H3
InChIKeyVBIVGQWGTYEAEL-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol

2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol (PubChem CID 84714339) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
PubChem CID84714339
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(N)CO)c(OC)c1Br
InChIInChI=1S/C10H14BrNO3/c1-14-8-4-3-6(7(12)5-13)10(15-2)9(8)11/h3-4,7,13H,5,12H2,1-2H3
InChIKeyVBIVGQWGTYEAEL-UHFFFAOYSA-N
XLogP1.46
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
CID 117468570
1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 103523429
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
ethyl 2-(3-bromo-2,4-dimethoxyphenyl)butanoate
CID 103523779
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
CID 84814609

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol (CID 84714339) is 2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol is COc1ccc(C(N)CO)c(OC)c1Br.
What is the InChIKey of 2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol?
The InChIKey is VBIVGQWGTYEAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-14-8-4-3-6(7(12)5-13)10(15-2)9(8)11/h3-4,7,13H,5,12H2,1-2H3.
What are the key properties of 2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol?
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol has a molecular weight of 276.13 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 84714339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).