1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone

C12H17NO3 — CID 84788996

IUPAC1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1C(OC)OC
InChIInChI=1S/C12H17NO3/c1-13-8-11(14)9-6-4-5-7-10(9)12(15-2)16-3/h4-7,12-13H,8H2,1-3H3
InChIKeyFISRYTFZANTSDY-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.38
Rot. Bonds6

About 1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone

1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone (PubChem CID 84788996) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone
PubChem CID84788996
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1C(OC)OC
InChIInChI=1S/C12H17NO3/c1-13-8-11(14)9-6-4-5-7-10(9)12(15-2)16-3/h4-7,12-13H,8H2,1-3H3
InChIKeyFISRYTFZANTSDY-UHFFFAOYSA-N
XLogP1.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(dimethoxymethyl)benzenecarbothioic S-acid
CID 21296747
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84657859
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone
CID 117108291
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone
CID 117108293
1-[2-(difluoromethyl)-6-methoxyphenyl]-2-(methylamino)ethanone
CID 117330007
methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate
CID 121333803
N-[2-methoxy-6-[2-(methylamino)acetyl]phenyl]acetamide
CID 105497642
1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone
CID 117320150
2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone
CID 115005818
1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone
CID 117432206

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone (CID 84788996) is 1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccccc1C(OC)OC.
What is the InChIKey of 1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is FISRYTFZANTSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13-8-11(14)9-6-4-5-7-10(9)12(15-2)16-3/h4-7,12-13H,8H2,1-3H3.
What are the key properties of 1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone?
1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 223.27 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 84788996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).