4-ethyl-3,5-dimethoxyaniline

C10H15NO2 — CID 12752293

IUPAC4-ethyl-3,5-dimethoxyaniline
SMILESCCc1c(OC)cc(N)cc1OC
InChIInChI=1S/C10H15NO2/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h5-6H,4,11H2,1-3H3
InChIKeyUMGYOVPTMJBRJS-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.85
Rot. Bonds3

About 4-ethyl-3,5-dimethoxyaniline

4-ethyl-3,5-dimethoxyaniline (PubChem CID 12752293) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-ethyl-3,5-dimethoxyaniline.

Molecular Properties

Compound Name4-ethyl-3,5-dimethoxyaniline
PubChem CID12752293
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-ethyl-3,5-dimethoxyaniline
SMILESCCc1c(OC)cc(N)cc1OC
InChIInChI=1S/C10H15NO2/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h5-6H,4,11H2,1-3H3
InChIKeyUMGYOVPTMJBRJS-UHFFFAOYSA-N
XLogP1.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-dimethoxyaniline?
The IUPAC name of 4-ethyl-3,5-dimethoxyaniline (CID 12752293) is 4-ethyl-3,5-dimethoxyaniline.
What is the SMILES notation for 4-ethyl-3,5-dimethoxyaniline?
The canonical SMILES for 4-ethyl-3,5-dimethoxyaniline is CCc1c(OC)cc(N)cc1OC.
What is the InChIKey of 4-ethyl-3,5-dimethoxyaniline?
The InChIKey is UMGYOVPTMJBRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h5-6H,4,11H2,1-3H3.
What are the key properties of 4-ethyl-3,5-dimethoxyaniline?
4-ethyl-3,5-dimethoxyaniline has a molecular weight of 181.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-dimethoxyaniline is sourced from PubChem (CID 12752293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).