N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine

C13H13NO2 — CID 12630086

IUPACN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/Cc2ccco2)cc1
InChIInChI=1S/C13H13NO2/c1-15-12-6-4-11(5-7-12)9-14-10-13-3-2-8-16-13/h2-9H,10H2,1H3/b14-9+
InChIKeyDDTNPRZMIOMMDX-NTEUORMPSA-N
MW215.25 g/mol
LogP2.91
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine

N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine (PubChem CID 12630086) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine
PubChem CID12630086
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/Cc2ccco2)cc1
InChIInChI=1S/C13H13NO2/c1-15-12-6-4-11(5-7-12)9-14-10-13-3-2-8-16-13/h2-9H,10H2,1H3/b14-9+
InChIKeyDDTNPRZMIOMMDX-NTEUORMPSA-N
XLogP2.91
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine (CID 12630086) is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine?
The InChIKey is DDTNPRZMIOMMDX-NTEUORMPSA-N. The full InChI is InChI=1S/C13H13NO2/c1-15-12-6-4-11(5-7-12)9-14-10-13-3-2-8-16-13/h2-9H,10H2,1H3/b14-9+.
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine?
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine has a molecular weight of 215.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 12630086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).