1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol

C12H18BrNO3 — CID 117489349

IUPAC1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Br)c(OC)c(C)c1OC
InChIInChI=1S/C12H18BrNO3/c1-7-11(16-3)8(10(15)6-14-2)5-9(13)12(7)17-4/h5,10,14-15H,6H2,1-4H3
InChIKeyOYUOWEPHCZOXJN-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.03
Rot. Bonds5

About 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol

1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol (PubChem CID 117489349) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
PubChem CID117489349
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Br)c(OC)c(C)c1OC
InChIInChI=1S/C12H18BrNO3/c1-7-11(16-3)8(10(15)6-14-2)5-9(13)12(7)17-4/h5,10,14-15H,6H2,1-4H3
InChIKeyOYUOWEPHCZOXJN-UHFFFAOYSA-N
XLogP2.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2-methoxyphenyl)-2-(methylamino)ethanol
CID 82623850
2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
CID 84792671
1-(5-bromo-4-methoxy-3-methyl-2-pyridinyl)-2-(methylamino)ethanol
CID 84714176
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117323942
1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84810359
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808
3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol
CID 117351342
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol
CID 117444120
1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117489126
1-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanol
CID 117417580

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol (CID 117489349) is 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(Br)c(OC)c(C)c1OC.
What is the InChIKey of 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol?
The InChIKey is OYUOWEPHCZOXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-7-11(16-3)8(10(15)6-14-2)5-9(13)12(7)17-4/h5,10,14-15H,6H2,1-4H3.
What are the key properties of 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol?
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol has a molecular weight of 304.18 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117489349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).