1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol

C15H24BrNO2 — CID 114492362

IUPAC1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol
SMILESCCNCc1cc(Br)cc(C)c1OCC(C)(O)CC
InChIInChI=1S/C15H24BrNO2/c1-5-15(4,18)10-19-14-11(3)7-13(16)8-12(14)9-17-6-2/h7-8,17-18H,5-6,9-10H2,1-4H3
InChIKeyLYWCPCVTXJVQMD-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.41
Rot. Bonds7

About 1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol

1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol (PubChem CID 114492362) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol
PubChem CID114492362
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol
SMILESCCNCc1cc(Br)cc(C)c1OCC(C)(O)CC
InChIInChI=1S/C15H24BrNO2/c1-5-15(4,18)10-19-14-11(3)7-13(16)8-12(14)9-17-6-2/h7-8,17-18H,5-6,9-10H2,1-4H3
InChIKeyLYWCPCVTXJVQMD-UHFFFAOYSA-N
XLogP3.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 115961275
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-methylphenyl]methyl]ethanamine
CID 103032918
1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]butan-2-ol
CID 112620164
N-[[5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]ethanamine
CID 112620249
N-[[5-bromo-2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961197
N-[[5-bromo-2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]methyl]ethanamine
CID 103177966
N-[[5-bromo-2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796493
2-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-N-propan-2-ylacetamide
CID 115961183
N-[[5-bromo-3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115961239
N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 115961189
N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640482
N-[[5-bromo-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115961178

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol (CID 114492362) is 1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol is CCNCc1cc(Br)cc(C)c1OCC(C)(O)CC.
What is the InChIKey of 1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol?
The InChIKey is LYWCPCVTXJVQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-5-15(4,18)10-19-14-11(3)7-13(16)8-12(14)9-17-6-2/h7-8,17-18H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol?
1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol has a molecular weight of 330.27 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 114492362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).