3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one

C13H19NO4 — CID 117385904

IUPAC3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one
SMILESCOCc1cc(OC)c(C(=O)CCN)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-16-8-9-6-11(17-2)13(10(15)4-5-14)12(7-9)18-3/h6-7H,4-5,8,14H2,1-3H3
InChIKeyIEMAMIOKZOTKRI-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.38
Rot. Bonds7

About 3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one

3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one (PubChem CID 117385904) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one
PubChem CID117385904
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one
SMILESCOCc1cc(OC)c(C(=O)CCN)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-16-8-9-6-11(17-2)13(10(15)4-5-14)12(7-9)18-3/h6-7H,4-5,8,14H2,1-3H3
InChIKeyIEMAMIOKZOTKRI-UHFFFAOYSA-N
XLogP1.38
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one
CID 84783757
3-amino-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-1-one
CID 117337381
2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol
CID 117355251
3-amino-1-(6-chloro-2,3,4-trimethoxyphenyl)propan-1-one
CID 117436956
4-(2,6-dimethoxyphenyl)-4-oxobutanamide
CID 70615258
3-amino-1-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propan-1-one
CID 117464810
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one
CID 46938474
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 117326430
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one
CID 117471471

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one (CID 117385904) is 3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one is COCc1cc(OC)c(C(=O)CCN)c(OC)c1.
What is the InChIKey of 3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one?
The InChIKey is IEMAMIOKZOTKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-8-9-6-11(17-2)13(10(15)4-5-14)12(7-9)18-3/h6-7H,4-5,8,14H2,1-3H3.
What are the key properties of 3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one?
3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one has a molecular weight of 253.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one is sourced from PubChem (CID 117385904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).