2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol

C15H24BrNO2 — CID 115250590

IUPAC2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol
SMILESCCC(CO)CNc1c(C)c(Br)c(C)c(C)c1OC
InChIInChI=1S/C15H24BrNO2/c1-6-12(8-18)7-17-14-11(4)13(16)9(2)10(3)15(14)19-5/h12,17-18H,6-8H2,1-5H3
InChIKeyFBAPSFXODNEPNU-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.81
Rot. Bonds6

About 2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol

2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol (PubChem CID 115250590) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol
PubChem CID115250590
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol
SMILESCCC(CO)CNc1c(C)c(Br)c(C)c(C)c1OC
InChIInChI=1S/C15H24BrNO2/c1-6-12(8-18)7-17-14-11(4)13(16)9(2)10(3)15(14)19-5/h12,17-18H,6-8H2,1-5H3
InChIKeyFBAPSFXODNEPNU-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol
CID 115216070
5-bromo-N-(chloromethyl)-2-methoxy-3,4,6-trimethylaniline
CID 115262775
5-bromo-N-(3-chloropropyl)-2-methoxy-3,4,6-trimethylaniline
CID 115215467
5-(5-bromo-2-methoxy-3,4,6-trimethylanilino)pentan-2-one
CID 115236291
2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol
CID 115250575
2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)propanenitrile
CID 115129934
N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
CID 115194439
2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116942465
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116859290
N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide
CID 115191621
2-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methylamino]ethanol
CID 115216219
N-(2-ethylbutyl)-3-methoxy-2,4-dimethylaniline
CID 43738989

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol?
The IUPAC name of 2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol (CID 115250590) is 2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol is CCC(CO)CNc1c(C)c(Br)c(C)c(C)c1OC.
What is the InChIKey of 2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol?
The InChIKey is FBAPSFXODNEPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-6-12(8-18)7-17-14-11(4)13(16)9(2)10(3)15(14)19-5/h12,17-18H,6-8H2,1-5H3.
What are the key properties of 2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol?
2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol has a molecular weight of 330.27 g/mol, XLogP of 3.81, 6 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)methyl]butan-1-ol is sourced from PubChem (CID 115250590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).