1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol

C13H21NO4 — CID 171859184

IUPAC1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCCOc1cc(C(O)C(O)CNC)ccc1OC
InChIInChI=1S/C13H21NO4/c1-4-18-12-7-9(5-6-11(12)17-3)13(16)10(15)8-14-2/h5-7,10,13-16H,4,8H2,1-3H3
InChIKeyFNGSXONOAGJFMY-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.71
Rot. Bonds7

About 1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol

1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171859184) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171859184
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCCOc1cc(C(O)C(O)CNC)ccc1OC
InChIInChI=1S/C13H21NO4/c1-4-18-12-7-9(5-6-11(12)17-3)13(16)10(15)8-14-2/h5-7,10,13-16H,4,8H2,1-3H3
InChIKeyFNGSXONOAGJFMY-UHFFFAOYSA-N
XLogP0.71
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
1-(3-ethoxy-4-phenylmethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859110
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859158
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857173
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859193
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1-[4-(diethoxymethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171859140
1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol
CID 171858748
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol (CID 171859184) is 1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol is CCOc1cc(C(O)C(O)CNC)ccc1OC.
What is the InChIKey of 1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is FNGSXONOAGJFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-4-18-12-7-9(5-6-11(12)17-3)13(16)10(15)8-14-2/h5-7,10,13-16H,4,8H2,1-3H3.
What are the key properties of 1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 255.31 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171859184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).