2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol

C11H16BrNO3 — CID 117468539

IUPAC2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
SMILESCOc1cc(Br)c(O)c(C(C)CN)c1OC
InChIInChI=1S/C11H16BrNO3/c1-6(5-13)9-10(14)7(12)4-8(15-2)11(9)16-3/h4,6,14H,5,13H2,1-3H3
InChIKeyZHHLNMDBHGSSKL-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.23
Rot. Bonds4

About 2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol

2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol (PubChem CID 117468539) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
PubChem CID117468539
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
SMILESCOc1cc(Br)c(O)c(C(C)CN)c1OC
InChIInChI=1S/C11H16BrNO3/c1-6(5-13)9-10(14)7(12)4-8(15-2)11(9)16-3/h4,6,14H,5,13H2,1-3H3
InChIKeyZHHLNMDBHGSSKL-UHFFFAOYSA-N
XLogP2.23
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
CID 117366706
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
CID 117467054
2-amino-1-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474366
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
CID 117433026
2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
CID 117403628
6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376
3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol
CID 117471634
2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine
CID 117398117

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol (CID 117468539) is 2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol is COc1cc(Br)c(O)c(C(C)CN)c1OC.
What is the InChIKey of 2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol?
The InChIKey is ZHHLNMDBHGSSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-6(5-13)9-10(14)7(12)4-8(15-2)11(9)16-3/h4,6,14H,5,13H2,1-3H3.
What are the key properties of 2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol?
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol has a molecular weight of 290.16 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol is sourced from PubChem (CID 117468539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).