2-[3-(furan-2-yl)propylamino]benzaldehyde

C14H15NO2 — CID 134860992

IUPAC2-[3-(furan-2-yl)propylamino]benzaldehyde
SMILESO=Cc1ccccc1NCCCc1ccco1
InChIInChI=1S/C14H15NO2/c16-11-12-5-1-2-8-14(12)15-9-3-6-13-7-4-10-17-13/h1-2,4-5,7-8,10-11,15H,3,6,9H2
InChIKeyQZYJMGSJMLQDND-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.14
Rot. Bonds6

About 2-[3-(furan-2-yl)propylamino]benzaldehyde

2-[3-(furan-2-yl)propylamino]benzaldehyde (PubChem CID 134860992) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)propylamino]benzaldehyde.

Molecular Properties

Compound Name2-[3-(furan-2-yl)propylamino]benzaldehyde
PubChem CID134860992
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-[3-(furan-2-yl)propylamino]benzaldehyde
SMILESO=Cc1ccccc1NCCCc1ccco1
InChIInChI=1S/C14H15NO2/c16-11-12-5-1-2-8-14(12)15-9-3-6-13-7-4-10-17-13/h1-2,4-5,7-8,10-11,15H,3,6,9H2
InChIKeyQZYJMGSJMLQDND-UHFFFAOYSA-N
XLogP3.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)propylamino]benzaldehyde?
The IUPAC name of 2-[3-(furan-2-yl)propylamino]benzaldehyde (CID 134860992) is 2-[3-(furan-2-yl)propylamino]benzaldehyde.
What is the SMILES notation for 2-[3-(furan-2-yl)propylamino]benzaldehyde?
The canonical SMILES for 2-[3-(furan-2-yl)propylamino]benzaldehyde is O=Cc1ccccc1NCCCc1ccco1.
What is the InChIKey of 2-[3-(furan-2-yl)propylamino]benzaldehyde?
The InChIKey is QZYJMGSJMLQDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-11-12-5-1-2-8-14(12)15-9-3-6-13-7-4-10-17-13/h1-2,4-5,7-8,10-11,15H,3,6,9H2.
What are the key properties of 2-[3-(furan-2-yl)propylamino]benzaldehyde?
2-[3-(furan-2-yl)propylamino]benzaldehyde has a molecular weight of 229.28 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)propylamino]benzaldehyde is sourced from PubChem (CID 134860992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).