3-cyclopropyl-4,5-dimethoxyaniline

C11H15NO2 — CID 89107680

IUPAC3-cyclopropyl-4,5-dimethoxyaniline
SMILESCOc1cc(N)cc(C2CC2)c1OC
InChIInChI=1S/C11H15NO2/c1-13-10-6-8(12)5-9(7-3-4-7)11(10)14-2/h5-7H,3-4,12H2,1-2H3
InChIKeySOXOXPSQLQQBAW-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.16
Rot. Bonds3

About 3-cyclopropyl-4,5-dimethoxyaniline

3-cyclopropyl-4,5-dimethoxyaniline (PubChem CID 89107680) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-cyclopropyl-4,5-dimethoxyaniline.

Molecular Properties

Compound Name3-cyclopropyl-4,5-dimethoxyaniline
PubChem CID89107680
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-cyclopropyl-4,5-dimethoxyaniline
SMILESCOc1cc(N)cc(C2CC2)c1OC
InChIInChI=1S/C11H15NO2/c1-13-10-6-8(12)5-9(7-3-4-7)11(10)14-2/h5-7H,3-4,12H2,1-2H3
InChIKeySOXOXPSQLQQBAW-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.16
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 3-cyclopropyl-4,5-dimethoxyaniline?
The IUPAC name of 3-cyclopropyl-4,5-dimethoxyaniline (CID 89107680) is 3-cyclopropyl-4,5-dimethoxyaniline.
What is the SMILES notation for 3-cyclopropyl-4,5-dimethoxyaniline?
The canonical SMILES for 3-cyclopropyl-4,5-dimethoxyaniline is COc1cc(N)cc(C2CC2)c1OC.
What is the InChIKey of 3-cyclopropyl-4,5-dimethoxyaniline?
The InChIKey is SOXOXPSQLQQBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-10-6-8(12)5-9(7-3-4-7)11(10)14-2/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 3-cyclopropyl-4,5-dimethoxyaniline?
3-cyclopropyl-4,5-dimethoxyaniline has a molecular weight of 193.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,5-dimethoxyaniline is sourced from PubChem (CID 89107680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).