4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol

C15H25NO3 — CID 79361669

IUPAC4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
SMILESCCOc1cc(CNC)ccc1OCCC(C)(C)O
InChIInChI=1S/C15H25NO3/c1-5-18-14-10-12(11-16-4)6-7-13(14)19-9-8-15(2,3)17/h6-7,10,16-17H,5,8-9,11H2,1-4H3
InChIKeyLNMUATLYOCFOLL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds8

About 4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol

4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol (PubChem CID 79361669) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
PubChem CID79361669
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
SMILESCCOc1cc(CNC)ccc1OCCC(C)(C)O
InChIInChI=1S/C15H25NO3/c1-5-18-14-10-12(11-16-4)6-7-13(14)19-9-8-15(2,3)17/h6-7,10,16-17H,5,8-9,11H2,1-4H3
InChIKeyLNMUATLYOCFOLL-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
CID 115942171
4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686703
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54935970
4-[2-methoxy-5-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361822
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417
2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 29228499
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208536
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine
CID 93007101
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol (CID 79361669) is 4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol is CCOc1cc(CNC)ccc1OCCC(C)(C)O.
What is the InChIKey of 4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The InChIKey is LNMUATLYOCFOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-18-14-10-12(11-16-4)6-7-13(14)19-9-8-15(2,3)17/h6-7,10,16-17H,5,8-9,11H2,1-4H3.
What are the key properties of 4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79361669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).