2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone

C12H17NO4 — CID 117350605

IUPAC2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(C(=O)CN)c(OC)cc1OC
InChIInChI=1S/C12H17NO4/c1-15-7-8-4-9(10(14)6-13)12(17-3)5-11(8)16-2/h4-5H,6-7,13H2,1-3H3
InChIKeyZFXMFIJQWGVVMW-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.99
Rot. Bonds6

About 2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone

2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone (PubChem CID 117350605) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
PubChem CID117350605
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(C(=O)CN)c(OC)cc1OC
InChIInChI=1S/C12H17NO4/c1-15-7-8-4-9(10(14)6-13)12(17-3)5-11(8)16-2/h4-5H,6-7,13H2,1-3H3
InChIKeyZFXMFIJQWGVVMW-UHFFFAOYSA-N
XLogP0.99
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
CID 117353062
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
3-amino-2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117426345
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355258
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353561
2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone
CID 117306249
ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457710
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
CID 117286739
2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117328325
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 117326430

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone (CID 117350605) is 2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone is COCc1cc(C(=O)CN)c(OC)cc1OC.
What is the InChIKey of 2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone?
The InChIKey is ZFXMFIJQWGVVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-15-7-8-4-9(10(14)6-13)12(17-3)5-11(8)16-2/h4-5H,6-7,13H2,1-3H3.
What are the key properties of 2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone?
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone has a molecular weight of 239.27 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 117350605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).