2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol

C11H16BrNO3 — CID 117468570

IUPAC2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
SMILESCCOc1c(OC)ccc(Br)c1C(N)CO
InChIInChI=1S/C11H16BrNO3/c1-3-16-11-9(15-2)5-4-7(12)10(11)8(13)6-14/h4-5,8,14H,3,6,13H2,1-2H3
InChIKeyTZBAUNAIASETEJ-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.85
Rot. Bonds5

About 2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol

2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol (PubChem CID 117468570) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
PubChem CID117468570
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
SMILESCCOc1c(OC)ccc(Br)c1C(N)CO
InChIInChI=1S/C11H16BrNO3/c1-3-16-11-9(15-2)5-4-7(12)10(11)8(13)6-14/h4-5,8,14H,3,6,13H2,1-2H3
InChIKeyTZBAUNAIASETEJ-UHFFFAOYSA-N
XLogP1.85
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol
CID 117489330
2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 117467060
2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
CID 77130049
2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol
CID 83901907
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol
CID 84714745
2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117488224
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117462959

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol (CID 117468570) is 2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol is CCOc1c(OC)ccc(Br)c1C(N)CO.
What is the InChIKey of 2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol?
The InChIKey is TZBAUNAIASETEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-3-16-11-9(15-2)5-4-7(12)10(11)8(13)6-14/h4-5,8,14H,3,6,13H2,1-2H3.
What are the key properties of 2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol?
2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol has a molecular weight of 290.16 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol is sourced from PubChem (CID 117468570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).