2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol

C12H18BrNO3 — CID 117489330

IUPAC2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol
SMILESCOc1ccc(Br)c(C(N)CO)c1OC(C)C
InChIInChI=1S/C12H18BrNO3/c1-7(2)17-12-10(16-3)5-4-8(13)11(12)9(14)6-15/h4-5,7,9,15H,6,14H2,1-3H3
InChIKeyRDGOGYFYZDUTLG-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.24
Rot. Bonds5

About 2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol

2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol (PubChem CID 117489330) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol
PubChem CID117489330
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol
SMILESCOc1ccc(Br)c(C(N)CO)c1OC(C)C
InChIInChI=1S/C12H18BrNO3/c1-7(2)17-12-10(16-3)5-4-8(13)11(12)9(14)6-15/h4-5,7,9,15H,6,14H2,1-3H3
InChIKeyRDGOGYFYZDUTLG-UHFFFAOYSA-N
XLogP2.24
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
CID 117468570
1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564
1-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)propan-2-one
CID 117484933
2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 117467060
2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol
CID 84678506
(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
3-bromo-2-[(1S)-1,3-diaminopropyl]-6-methoxyphenol
CID 171254249
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
3-bromo-2-[(1S)-1,3-diaminopropyl]-6-methoxyphenol;hydrochloride
CID 171254250
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 66537318

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol (CID 117489330) is 2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol is COc1ccc(Br)c(C(N)CO)c1OC(C)C.
What is the InChIKey of 2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol?
The InChIKey is RDGOGYFYZDUTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-7(2)17-12-10(16-3)5-4-8(13)11(12)9(14)6-15/h4-5,7,9,15H,6,14H2,1-3H3.
What are the key properties of 2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol?
2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol has a molecular weight of 304.18 g/mol, XLogP of 2.24, 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-3-methoxy-2-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 117489330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).