2,4,5-trimethoxy-N,3-dimethylaniline

C11H17NO3 — CID 135037705

IUPAC2,4,5-trimethoxy-N,3-dimethylaniline
SMILESCNc1cc(OC)c(OC)c(C)c1OC
InChIInChI=1S/C11H17NO3/c1-7-10(14-4)8(12-2)6-9(13-3)11(7)15-5/h6,12H,1-5H3
InChIKeyIFKZXAIUQDAHEK-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.06
Rot. Bonds4

About 2,4,5-trimethoxy-N,3-dimethylaniline

2,4,5-trimethoxy-N,3-dimethylaniline (PubChem CID 135037705) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N,3-dimethylaniline.

Molecular Properties

Compound Name2,4,5-trimethoxy-N,3-dimethylaniline
PubChem CID135037705
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2,4,5-trimethoxy-N,3-dimethylaniline
SMILESCNc1cc(OC)c(OC)c(C)c1OC
InChIInChI=1S/C11H17NO3/c1-7-10(14-4)8(12-2)6-9(13-3)11(7)15-5/h6,12H,1-5H3
InChIKeyIFKZXAIUQDAHEK-UHFFFAOYSA-N
XLogP2.06
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N,3-dimethylaniline?
The IUPAC name of 2,4,5-trimethoxy-N,3-dimethylaniline (CID 135037705) is 2,4,5-trimethoxy-N,3-dimethylaniline.
What is the SMILES notation for 2,4,5-trimethoxy-N,3-dimethylaniline?
The canonical SMILES for 2,4,5-trimethoxy-N,3-dimethylaniline is CNc1cc(OC)c(OC)c(C)c1OC.
What is the InChIKey of 2,4,5-trimethoxy-N,3-dimethylaniline?
The InChIKey is IFKZXAIUQDAHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-10(14-4)8(12-2)6-9(13-3)11(7)15-5/h6,12H,1-5H3.
What are the key properties of 2,4,5-trimethoxy-N,3-dimethylaniline?
2,4,5-trimethoxy-N,3-dimethylaniline has a molecular weight of 211.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N,3-dimethylaniline is sourced from PubChem (CID 135037705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).