3,5-dimethoxy-2-(methoxymethoxymethyl)aniline

C11H17NO4 — CID 19093007

IUPAC3,5-dimethoxy-2-(methoxymethoxymethyl)aniline
SMILESCOCOCc1c(N)cc(OC)cc1OC
InChIInChI=1S/C11H17NO4/c1-13-7-16-6-9-10(12)4-8(14-2)5-11(9)15-3/h4-5H,6-7,12H2,1-3H3
InChIKeyORRINEJWFCESGA-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.41
Rot. Bonds6

About 3,5-dimethoxy-2-(methoxymethoxymethyl)aniline

3,5-dimethoxy-2-(methoxymethoxymethyl)aniline (PubChem CID 19093007) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3,5-dimethoxy-2-(methoxymethoxymethyl)aniline.

Molecular Properties

Compound Name3,5-dimethoxy-2-(methoxymethoxymethyl)aniline
PubChem CID19093007
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3,5-dimethoxy-2-(methoxymethoxymethyl)aniline
SMILESCOCOCc1c(N)cc(OC)cc1OC
InChIInChI=1S/C11H17NO4/c1-13-7-16-6-9-10(12)4-8(14-2)5-11(9)15-3/h4-5H,6-7,12H2,1-3H3
InChIKeyORRINEJWFCESGA-UHFFFAOYSA-N
XLogP1.41
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-dimethoxy-2-(methoxymethoxymethyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-(methoxymethoxymethyl)aniline?
The IUPAC name of 3,5-dimethoxy-2-(methoxymethoxymethyl)aniline (CID 19093007) is 3,5-dimethoxy-2-(methoxymethoxymethyl)aniline.
What is the SMILES notation for 3,5-dimethoxy-2-(methoxymethoxymethyl)aniline?
The canonical SMILES for 3,5-dimethoxy-2-(methoxymethoxymethyl)aniline is COCOCc1c(N)cc(OC)cc1OC.
What is the InChIKey of 3,5-dimethoxy-2-(methoxymethoxymethyl)aniline?
The InChIKey is ORRINEJWFCESGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-13-7-16-6-9-10(12)4-8(14-2)5-11(9)15-3/h4-5H,6-7,12H2,1-3H3.
What are the key properties of 3,5-dimethoxy-2-(methoxymethoxymethyl)aniline?
3,5-dimethoxy-2-(methoxymethoxymethyl)aniline has a molecular weight of 227.26 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-(methoxymethoxymethyl)aniline is sourced from PubChem (CID 19093007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).