2-(furan-2-ylmethyl)aniline

C11H11NO — CID 23510861

IUPAC2-(furan-2-ylmethyl)aniline
SMILESNc1ccccc1Cc1ccco1
InChIInChI=1S/C11H11NO/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-7H,8,12H2
InChIKeyNGMCYHGVAHHZLS-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.45
Rot. Bonds2

About 2-(furan-2-ylmethyl)aniline

2-(furan-2-ylmethyl)aniline (PubChem CID 23510861) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)aniline
PubChem CID23510861
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2-(furan-2-ylmethyl)aniline
SMILESNc1ccccc1Cc1ccco1
InChIInChI=1S/C11H11NO/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-7H,8,12H2
InChIKeyNGMCYHGVAHHZLS-UHFFFAOYSA-N
XLogP2.45
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.45
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 2-(furan-2-ylmethyl)aniline?
The IUPAC name of 2-(furan-2-ylmethyl)aniline (CID 23510861) is 2-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(furan-2-ylmethyl)aniline?
The canonical SMILES for 2-(furan-2-ylmethyl)aniline is Nc1ccccc1Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)aniline?
The InChIKey is NGMCYHGVAHHZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-7H,8,12H2.
What are the key properties of 2-(furan-2-ylmethyl)aniline?
2-(furan-2-ylmethyl)aniline has a molecular weight of 173.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 23510861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).