1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine

C12H19NO3 — CID 117323985

IUPAC1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
SMILESCCc1ccc(OC)c(OC)c1CNOC
InChIInChI=1S/C12H19NO3/c1-5-9-6-7-11(14-2)12(15-3)10(9)8-13-16-4/h6-7,13H,5,8H2,1-4H3
InChIKeySHVQXJGVYVFIBL-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.92
Rot. Bonds6

About 1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine

1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine (PubChem CID 117323985) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
PubChem CID117323985
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
SMILESCCc1ccc(OC)c(OC)c1CNOC
InChIInChI=1S/C12H19NO3/c1-5-9-6-7-11(14-2)12(15-3)10(9)8-13-16-4/h6-7,13H,5,8H2,1-4H3
InChIKeySHVQXJGVYVFIBL-UHFFFAOYSA-N
XLogP1.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine 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

1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117489365
1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 84791445
1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
CID 117491265
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
1-ethyl-2-isothiocyanato-3,4-dimethoxybenzene
CID 142641031
2-(2-ethyl-3,4-dimethoxyphenyl)acetonitrile
CID 14346520
1,2-bis(bromomethyl)-3,4-dimethoxybenzene
CID 154091401
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine (CID 117323985) is 1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine is CCc1ccc(OC)c(OC)c1CNOC.
What is the InChIKey of 1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine?
The InChIKey is SHVQXJGVYVFIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-9-6-7-11(14-2)12(15-3)10(9)8-13-16-4/h6-7,13H,5,8H2,1-4H3.
What are the key properties of 1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine?
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117323985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).