2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline

C12H19NO3 — CID 115258305

IUPAC2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline
SMILESCOCNc1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C12H19NO3/c1-8-9(2)12(16-5)10(13-7-14-3)6-11(8)15-4/h6,13H,7H2,1-5H3
InChIKeyFDYZXNOEMALDGL-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.34
Rot. Bonds5

About 2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline

2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline (PubChem CID 115258305) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline
PubChem CID115258305
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline
SMILESCOCNc1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C12H19NO3/c1-8-9(2)12(16-5)10(13-7-14-3)6-11(8)15-4/h6,13H,7H2,1-5H3
InChIKeyFDYZXNOEMALDGL-UHFFFAOYSA-N
XLogP2.34
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.34
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

4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
CID 115258230
2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257712
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine
CID 115196355
3-(2,5-dimethoxy-3,4-dimethylanilino)propanenitrile
CID 115230722
N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115258612
N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide
CID 115175414
3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide
CID 115153528
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
N-(methoxymethyl)-2,3,4-trimethylaniline
CID 115258290
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol
CID 116928719
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline?
The IUPAC name of 2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline (CID 115258305) is 2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline.
What is the SMILES notation for 2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline?
The canonical SMILES for 2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline is COCNc1cc(OC)c(C)c(C)c1OC.
What is the InChIKey of 2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline?
The InChIKey is FDYZXNOEMALDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-9(2)12(16-5)10(13-7-14-3)6-11(8)15-4/h6,13H,7H2,1-5H3.
What are the key properties of 2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline?
2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline has a molecular weight of 225.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline is sourced from PubChem (CID 115258305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).