3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol

C11H16BrNO2 — CID 117437685

IUPAC3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol
SMILESCOc1c(CC(C)(C)N)ccc(Br)c1O
InChIInChI=1S/C11H16BrNO2/c1-11(2,13)6-7-4-5-8(12)9(14)10(7)15-3/h4-5,14H,6,13H2,1-3H3
InChIKeyLUMKJLASQIYMAD-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.44
Rot. Bonds3

About 3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol

3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol (PubChem CID 117437685) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol
PubChem CID117437685
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol
SMILESCOc1c(CC(C)(C)N)ccc(Br)c1O
InChIInChI=1S/C11H16BrNO2/c1-11(2,13)6-7-4-5-8(12)9(14)10(7)15-3/h4-5,14H,6,13H2,1-3H3
InChIKeyLUMKJLASQIYMAD-UHFFFAOYSA-N
XLogP2.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-bromo-2-methoxyphenol
CID 117335662
1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
CID 82623586
6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
CID 117465337
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
1-(2,3-dimethoxy-4-methylsulfanylphenyl)-2-methylpropan-2-amine
CID 117391912
6-(2-amino-2-methylpropyl)-3-methoxy-2-methylphenol
CID 117299283
3-(4-bromo-2-hydroxy-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117487920
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
CID 117320492
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol?
The IUPAC name of 3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol (CID 117437685) is 3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol?
The canonical SMILES for 3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol is COc1c(CC(C)(C)N)ccc(Br)c1O.
What is the InChIKey of 3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol?
The InChIKey is LUMKJLASQIYMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-11(2,13)6-7-4-5-8(12)9(14)10(7)15-3/h4-5,14H,6,13H2,1-3H3.
What are the key properties of 3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol?
3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol has a molecular weight of 274.16 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol is sourced from PubChem (CID 117437685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).