3-(2,5-dimethylfuran-3-yl)-4-methylaniline

C13H15NO — CID 61318813

IUPAC3-(2,5-dimethylfuran-3-yl)-4-methylaniline
SMILESCc1cc(-c2cc(N)ccc2C)c(C)o1
InChIInChI=1S/C13H15NO/c1-8-4-5-11(14)7-12(8)13-6-9(2)15-10(13)3/h4-7H,14H2,1-3H3
InChIKeyITHAOLBUXTXOAW-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.45
Rot. Bonds1

About 3-(2,5-dimethylfuran-3-yl)-4-methylaniline

3-(2,5-dimethylfuran-3-yl)-4-methylaniline (PubChem CID 61318813) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-yl)-4-methylaniline.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-yl)-4-methylaniline
PubChem CID61318813
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(2,5-dimethylfuran-3-yl)-4-methylaniline
SMILESCc1cc(-c2cc(N)ccc2C)c(C)o1
InChIInChI=1S/C13H15NO/c1-8-4-5-11(14)7-12(8)13-6-9(2)15-10(13)3/h4-7H,14H2,1-3H3
InChIKeyITHAOLBUXTXOAW-UHFFFAOYSA-N
XLogP3.45
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,5-dimethylfuran-3-yl)-4-methylaniline?
The IUPAC name of 3-(2,5-dimethylfuran-3-yl)-4-methylaniline (CID 61318813) is 3-(2,5-dimethylfuran-3-yl)-4-methylaniline.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-yl)-4-methylaniline?
The canonical SMILES for 3-(2,5-dimethylfuran-3-yl)-4-methylaniline is Cc1cc(-c2cc(N)ccc2C)c(C)o1.
What is the InChIKey of 3-(2,5-dimethylfuran-3-yl)-4-methylaniline?
The InChIKey is ITHAOLBUXTXOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-8-4-5-11(14)7-12(8)13-6-9(2)15-10(13)3/h4-7H,14H2,1-3H3.
What are the key properties of 3-(2,5-dimethylfuran-3-yl)-4-methylaniline?
3-(2,5-dimethylfuran-3-yl)-4-methylaniline has a molecular weight of 201.27 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-yl)-4-methylaniline is sourced from PubChem (CID 61318813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).