1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol

C11H16BrNO2 — CID 63216610

IUPAC1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1ccc(Br)cc1C
InChIInChI=1S/C11H16BrNO2/c1-8-5-9(12)3-4-11(8)15-7-10(14)6-13-2/h3-5,10,13-14H,6-7H2,1-2H3
InChIKeyAAXUKNHYODHPQE-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.72
Rot. Bonds5

About 1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol

1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol (PubChem CID 63216610) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol
PubChem CID63216610
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1ccc(Br)cc1C
InChIInChI=1S/C11H16BrNO2/c1-8-5-9(12)3-4-11(8)15-7-10(14)6-13-2/h3-5,10,13-14H,6-7H2,1-2H3
InChIKeyAAXUKNHYODHPQE-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-propan-2-ylphenoxy)-3-(methylamino)propan-2-ol
CID 115401723
1-(5-bromo-2-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107283636
1-(4-bromoanilino)-3-(2,4-dimethylphenoxy)propan-2-ol
CID 60897977
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
3-(5-bromo-2-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 107285213
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 84746272
4-bromo-1-(3-bromo-2-methylpropoxy)-2-methylbenzene
CID 64995954
3-[2-hydroxy-3-(methylamino)propoxy]-4-methylbenzonitrile
CID 107657480
4-[3-(4-bromo-2-methylphenoxy)-2-hydroxypropyl]oxan-4-ol
CID 167767404
2-[4-[(4-bromo-2-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350906
(2S)-1-(4-bromo-2-prop-2-enoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 125487722

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol (CID 63216610) is 1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol is CNCC(O)COc1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol?
The InChIKey is AAXUKNHYODHPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-8-5-9(12)3-4-11(8)15-7-10(14)6-13-2/h3-5,10,13-14H,6-7H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol?
1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol has a molecular weight of 274.16 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 63216610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).