2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol

C10H14BrNO2 — CID 83901907

IUPAC2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol
SMILESCCOc1cccc(Br)c1C(N)CO
InChIInChI=1S/C10H14BrNO2/c1-2-14-9-5-3-4-7(11)10(9)8(12)6-13/h3-5,8,13H,2,6,12H2,1H3
InChIKeyVAHAQVLHATVOGC-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.84
Rot. Bonds4

About 2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol

2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol (PubChem CID 83901907) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol
PubChem CID83901907
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol
SMILESCCOc1cccc(Br)c1C(N)CO
InChIInChI=1S/C10H14BrNO2/c1-2-14-9-5-3-4-7(11)10(9)8(12)6-13/h3-5,8,13H,2,6,12H2,1H3
InChIKeyVAHAQVLHATVOGC-UHFFFAOYSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-6-ethoxyphenyl)ethanol
CID 133057756
(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol
CID 66515135
2-amino-2-(2-bromo-6-methylphenyl)ethanol
CID 130062182
2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
CID 117468570
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
CID 77130049
4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol
CID 66516017
2-bromo-6-ethoxybenzenethiol
CID 91874370
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine
CID 115853550
(2-bromo-6-ethoxyphenyl)phosphonic acid
CID 175587032
(2S)-2-amino-2-(2-methoxy-6-methylphenyl)ethanol
CID 638516

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol (CID 83901907) is 2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol is CCOc1cccc(Br)c1C(N)CO.
What is the InChIKey of 2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol?
The InChIKey is VAHAQVLHATVOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-2-14-9-5-3-4-7(11)10(9)8(12)6-13/h3-5,8,13H,2,6,12H2,1H3.
What are the key properties of 2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol?
2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol has a molecular weight of 260.13 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol is sourced from PubChem (CID 83901907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).