1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol

C15H25NO4 — CID 63934160

IUPAC1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCCOCC(O)COc1c(CNC)cccc1OCC
InChIInChI=1S/C15H25NO4/c1-4-18-10-13(17)11-20-15-12(9-16-3)7-6-8-14(15)19-5-2/h6-8,13,16-17H,4-5,9-11H2,1-3H3
InChIKeyIDLOMFRSMXDLCK-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.58
Rot. Bonds10

About 1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol

1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol (PubChem CID 63934160) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
PubChem CID63934160
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCCOCC(O)COc1c(CNC)cccc1OCC
InChIInChI=1S/C15H25NO4/c1-4-18-10-13(17)11-20-15-12(9-16-3)7-6-8-14(15)19-5-2/h6-8,13,16-17H,4-5,9-11H2,1-3H3
InChIKeyIDLOMFRSMXDLCK-UHFFFAOYSA-N
XLogP1.58
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
CID 60881702
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467
1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol
CID 61390227
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
1-[2-fluoro-6-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988874
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
1-ethoxy-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955302
1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol
CID 112607693

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol (CID 63934160) is 1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol is CCOCC(O)COc1c(CNC)cccc1OCC.
What is the InChIKey of 1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol?
The InChIKey is IDLOMFRSMXDLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-18-10-13(17)11-20-15-12(9-16-3)7-6-8-14(15)19-5-2/h6-8,13,16-17H,4-5,9-11H2,1-3H3.
What are the key properties of 1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol?
1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 63934160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).