1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol

C12H18BrNO2 — CID 61390227

IUPAC1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol
SMILESCCC(O)COc1c(Br)cccc1CNC
InChIInChI=1S/C12H18BrNO2/c1-3-10(15)8-16-12-9(7-14-2)5-4-6-11(12)13/h4-6,10,14-15H,3,7-8H2,1-2H3
InChIKeyWZENUPBPVYOLLX-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.32
Rot. Bonds6

About 1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol

1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol (PubChem CID 61390227) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol
PubChem CID61390227
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol
SMILESCCC(O)COc1c(Br)cccc1CNC
InChIInChI=1S/C12H18BrNO2/c1-3-10(15)8-16-12-9(7-14-2)5-4-6-11(12)13/h4-6,10,14-15H,3,7-8H2,1-2H3
InChIKeyWZENUPBPVYOLLX-UHFFFAOYSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217
1-[3-bromo-2-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66046621
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 61390284
1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
CID 103156520
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 61390154
2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 61390167
N-[[3-bromo-2-(2-ethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 82925959
5-[2-bromo-6-(methylaminomethyl)phenoxy]pentanenitrile
CID 54966211
1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 63934160

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol?
The IUPAC name of 1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol (CID 61390227) is 1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol.
What is the SMILES notation for 1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol?
The canonical SMILES for 1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol is CCC(O)COc1c(Br)cccc1CNC.
What is the InChIKey of 1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol?
The InChIKey is WZENUPBPVYOLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-3-10(15)8-16-12-9(7-14-2)5-4-6-11(12)13/h4-6,10,14-15H,3,7-8H2,1-2H3.
What are the key properties of 1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol?
1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol has a molecular weight of 288.18 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol is sourced from PubChem (CID 61390227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).