3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol

C11H16BrNO2 — CID 82306729

IUPAC3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(Br)cc1C(C)(CN)CO
InChIInChI=1S/C11H16BrNO2/c1-11(6-13,7-14)9-5-8(12)3-4-10(9)15-2/h3-5,14H,6-7,13H2,1-2H3
InChIKeyJLHFAUCQZOURAP-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.67
Rot. Bonds4

About 3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol

3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 82306729) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID82306729
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(Br)cc1C(C)(CN)CO
InChIInChI=1S/C11H16BrNO2/c1-11(6-13,7-14)9-5-8(12)3-4-10(9)15-2/h3-5,14H,6-7,13H2,1-2H3
InChIKeyJLHFAUCQZOURAP-UHFFFAOYSA-N
XLogP1.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133750
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol
CID 115216511
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
CID 84706055
3-(5-bromo-2-methoxyphenyl)-3-methylbutan-2-one
CID 82306037
3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide
CID 115153147
1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine
CID 83844871
3-(5-bromo-2-methoxy-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135209
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride
CID 146308272
1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257132

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol (CID 82306729) is 3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol is COc1ccc(Br)cc1C(C)(CN)CO.
What is the InChIKey of 3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is JLHFAUCQZOURAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-11(6-13,7-14)9-5-8(12)3-4-10(9)15-2/h3-5,14H,6-7,13H2,1-2H3.
What are the key properties of 3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol?
3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 274.16 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 82306729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).