2-(furan-3-yl)-4-methylaniline

C11H11NO — CID 63949346

IUPAC2-(furan-3-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2ccoc2)c1
InChIInChI=1S/C11H11NO/c1-8-2-3-11(12)10(6-8)9-4-5-13-7-9/h2-7H,12H2,1H3
InChIKeyOVTRQDTUBZLXBV-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.84
Rot. Bonds1

About 2-(furan-3-yl)-4-methylaniline

2-(furan-3-yl)-4-methylaniline (PubChem CID 63949346) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(furan-3-yl)-4-methylaniline
PubChem CID63949346
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-(furan-3-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2ccoc2)c1
InChIInChI=1S/C11H11NO/c1-8-2-3-11(12)10(6-8)9-4-5-13-7-9/h2-7H,12H2,1H3
InChIKeyOVTRQDTUBZLXBV-UHFFFAOYSA-N
XLogP2.84
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.84
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 2-(furan-3-yl)-4-methylaniline?
The IUPAC name of 2-(furan-3-yl)-4-methylaniline (CID 63949346) is 2-(furan-3-yl)-4-methylaniline.
What is the SMILES notation for 2-(furan-3-yl)-4-methylaniline?
The canonical SMILES for 2-(furan-3-yl)-4-methylaniline is Cc1ccc(N)c(-c2ccoc2)c1.
What is the InChIKey of 2-(furan-3-yl)-4-methylaniline?
The InChIKey is OVTRQDTUBZLXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-2-3-11(12)10(6-8)9-4-5-13-7-9/h2-7H,12H2,1H3.
What are the key properties of 2-(furan-3-yl)-4-methylaniline?
2-(furan-3-yl)-4-methylaniline has a molecular weight of 173.21 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-4-methylaniline is sourced from PubChem (CID 63949346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).