2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol

C12H18BrNO2 — CID 115216070

IUPAC2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol
SMILESCOc1c(C)c(C)c(Br)c(C)c1NCCO
InChIInChI=1S/C12H18BrNO2/c1-7-8(2)12(16-4)11(14-5-6-15)9(3)10(7)13/h14-15H,5-6H2,1-4H3
InChIKeyCZWOHDQRKBSWBA-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.79
Rot. Bonds4

About 2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol

2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol (PubChem CID 115216070) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol
PubChem CID115216070
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol
SMILESCOc1c(C)c(C)c(Br)c(C)c1NCCO
InChIInChI=1S/C12H18BrNO2/c1-7-8(2)12(16-4)11(14-5-6-15)9(3)10(7)13/h14-15H,5-6H2,1-4H3
InChIKeyCZWOHDQRKBSWBA-UHFFFAOYSA-N
XLogP2.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-chloropropyl)-2-methoxy-3,4,6-trimethylaniline
CID 115215467
5-bromo-N-(chloromethyl)-2-methoxy-3,4,6-trimethylaniline
CID 115262775
5-(5-bromo-2-methoxy-3,4,6-trimethylanilino)pentan-2-one
CID 115236291
2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol
CID 115250590
2-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methylamino]ethanol
CID 115216219
N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
CID 115194439
N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide
CID 115191621
2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)propanenitrile
CID 115129934
N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138956
3-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)propan-1-ol
CID 117117637
1-bromo-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932278
1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one
CID 115234523

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol (CID 115216070) is 2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol is COc1c(C)c(C)c(Br)c(C)c1NCCO.
What is the InChIKey of 2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol?
The InChIKey is CZWOHDQRKBSWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-7-8(2)12(16-4)11(14-5-6-15)9(3)10(7)13/h14-15H,5-6H2,1-4H3.
What are the key properties of 2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol?
2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol has a molecular weight of 288.19 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol is sourced from PubChem (CID 115216070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).