1-(furan-2-yl)-N-(2-phenylethyl)methanimine

C13H13NO — CID 572635

IUPAC1-(furan-2-yl)-N-(2-phenylethyl)methanimine
SMILESC(=N/CCc1ccccc1)\c1ccco1
InChIInChI=1S/C13H13NO/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h1-7,10-11H,8-9H2/b14-11+
InChIKeyANAVOAVCCMJUHE-SDNWHVSQSA-N
MW199.25 g/mol
LogP2.94
Rot. Bonds4

About 1-(furan-2-yl)-N-(2-phenylethyl)methanimine

1-(furan-2-yl)-N-(2-phenylethyl)methanimine (PubChem CID 572635) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(2-phenylethyl)methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(2-phenylethyl)methanimine
PubChem CID572635
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1-(furan-2-yl)-N-(2-phenylethyl)methanimine
SMILESC(=N/CCc1ccccc1)\c1ccco1
InChIInChI=1S/C13H13NO/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h1-7,10-11H,8-9H2/b14-11+
InChIKeyANAVOAVCCMJUHE-SDNWHVSQSA-N
XLogP2.94
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(2-phenylethyl)methanimine?
The IUPAC name of 1-(furan-2-yl)-N-(2-phenylethyl)methanimine (CID 572635) is 1-(furan-2-yl)-N-(2-phenylethyl)methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-(2-phenylethyl)methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-(2-phenylethyl)methanimine is C(=N/CCc1ccccc1)\c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-(2-phenylethyl)methanimine?
The InChIKey is ANAVOAVCCMJUHE-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h1-7,10-11H,8-9H2/b14-11+.
What are the key properties of 1-(furan-2-yl)-N-(2-phenylethyl)methanimine?
1-(furan-2-yl)-N-(2-phenylethyl)methanimine has a molecular weight of 199.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(2-phenylethyl)methanimine is sourced from PubChem (CID 572635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).