2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol

C12H18BrNO3 — CID 61390167

IUPAC2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol
SMILESCNCc1cccc(Br)c1OCCOCCO
InChIInChI=1S/C12H18BrNO3/c1-14-9-10-3-2-4-11(13)12(10)17-8-7-16-6-5-15/h2-4,14-15H,5-9H2,1H3
InChIKeyURLUOCGSPBABOX-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.56
Rot. Bonds8

About 2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol

2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol (PubChem CID 61390167) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol
PubChem CID61390167
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol
SMILESCNCc1cccc(Br)c1OCCOCCO
InChIInChI=1S/C12H18BrNO3/c1-14-9-10-3-2-4-11(13)12(10)17-8-7-16-6-5-15/h2-4,14-15H,5-9H2,1H3
InChIKeyURLUOCGSPBABOX-UHFFFAOYSA-N
XLogP1.56
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61389630
2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol
CID 61390427
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217
5-[2-bromo-6-(methylaminomethyl)phenoxy]pentanenitrile
CID 54966211
1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 61390154
N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106450010
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-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 61390224
1-[3-bromo-2-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66046621
1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol
CID 61390227
N-[[3-bromo-2-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 61483984

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol (CID 61390167) is 2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol is CNCc1cccc(Br)c1OCCOCCO.
What is the InChIKey of 2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol?
The InChIKey is URLUOCGSPBABOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-14-9-10-3-2-4-11(13)12(10)17-8-7-16-6-5-15/h2-4,14-15H,5-9H2,1H3.
What are the key properties of 2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol?
2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol has a molecular weight of 304.18 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol is sourced from PubChem (CID 61390167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).