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

C12H18BrNO2 — CID 61390217

IUPAC1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
SMILESCNCc1cccc(Br)c1OCC(C)(C)O
InChIInChI=1S/C12H18BrNO2/c1-12(2,15)8-16-11-9(7-14-3)5-4-6-10(11)13/h4-6,14-15H,7-8H2,1-3H3
InChIKeyMFAFBZXPJCCODR-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.32
Rot. Bonds5

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

1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol (PubChem CID 61390217) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
PubChem CID61390217
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
SMILESCNCc1cccc(Br)c1OCC(C)(C)O
InChIInChI=1S/C12H18BrNO2/c1-12(2,15)8-16-11-9(7-14-3)5-4-6-10(11)13/h4-6,14-15H,7-8H2,1-3H3
InChIKeyMFAFBZXPJCCODR-UHFFFAOYSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 63058872
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
1-[3-bromo-2-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66046621
1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol
CID 61390227
2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 61390167
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61389630
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 61390095
5-[2-bromo-6-(methylaminomethyl)phenoxy]pentanenitrile
CID 54966211
1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61390155
1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 61390154
1-[3-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 61390224

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol (CID 61390217) is 1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol is CNCc1cccc(Br)c1OCC(C)(C)O.
What is the InChIKey of 1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol?
The InChIKey is MFAFBZXPJCCODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-12(2,15)8-16-11-9(7-14-3)5-4-6-10(11)13/h4-6,14-15H,7-8H2,1-3H3.
What are the key properties of 1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol?
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol has a molecular weight of 288.18 g/mol, XLogP of 2.32, 5 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]-2-methylpropan-2-ol is sourced from PubChem (CID 61390217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).