1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine

C11H17NO3 — CID 64974978

IUPAC1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine
SMILESCCONCc1ccc(OC)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-4-15-12-8-9-5-6-10(13-2)11(7-9)14-3/h5-7,12H,4,8H2,1-3H3
InChIKeyVTKGYSAUMPOKKS-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.74
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine

1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine (PubChem CID 64974978) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine
PubChem CID64974978
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine
SMILESCCONCc1ccc(OC)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-4-15-12-8-9-5-6-10(13-2)11(7-9)14-3/h5-7,12H,4,8H2,1-3H3
InChIKeyVTKGYSAUMPOKKS-UHFFFAOYSA-N
XLogP1.74
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine 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

N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
3-butoxy-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 17207562
N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide
CID 47371248

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine (CID 64974978) is 1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine is CCONCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine?
The InChIKey is VTKGYSAUMPOKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-15-12-8-9-5-6-10(13-2)11(7-9)14-3/h5-7,12H,4,8H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine?
1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-ethoxymethanamine is sourced from PubChem (CID 64974978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).