(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol

C10H14BrNO2 — CID 93189117

IUPAC(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(Br)cc1[C@](C)(O)CN
InChIInChI=1S/C10H14BrNO2/c1-10(13,6-12)8-5-7(11)3-4-9(8)14-2/h3-5,13H,6,12H2,1-2H3/t10-/m1/s1
InChIKeyCVHAZZAFICRGAP-SNVBAGLBSA-N
MW260.13 g/mol
LogP1.62
Rot. Bonds3

About (2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol

(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol (PubChem CID 93189117) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
PubChem CID93189117
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(Br)cc1[C@](C)(O)CN
InChIInChI=1S/C10H14BrNO2/c1-10(13,6-12)8-5-7(11)3-4-9(8)14-2/h3-5,13H,6,12H2,1-2H3/t10-/m1/s1
InChIKeyCVHAZZAFICRGAP-SNVBAGLBSA-N
XLogP1.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
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CID 82306729
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol
CID 82647794
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
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CID 82306037
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide
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1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine
CID 83844871
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol
CID 115216511
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133750

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol?
The IUPAC name of (2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol (CID 93189117) is (2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for (2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol is COc1ccc(Br)cc1[C@](C)(O)CN.
What is the InChIKey of (2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol?
The InChIKey is CVHAZZAFICRGAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-10(13,6-12)8-5-7(11)3-4-9(8)14-2/h3-5,13H,6,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol?
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol has a molecular weight of 260.13 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 93189117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).