N-(furan-2-ylmethyl)-1-phenylmethanimine

C12H11NO — CID 3397574

IUPACN-(furan-2-ylmethyl)-1-phenylmethanimine
SMILESC(=N/Cc1ccco1)\c1ccccc1
InChIInChI=1S/C12H11NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-9H,10H2/b13-9+
InChIKeyOWJDLPVVCCZQRA-UKTHLTGXSA-N
MW185.23 g/mol
LogP2.90
Rot. Bonds3

About N-(furan-2-ylmethyl)-1-phenylmethanimine

N-(furan-2-ylmethyl)-1-phenylmethanimine (PubChem CID 3397574) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-phenylmethanimine
PubChem CID3397574
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC NameN-(furan-2-ylmethyl)-1-phenylmethanimine
SMILESC(=N/Cc1ccco1)\c1ccccc1
InChIInChI=1S/C12H11NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-9H,10H2/b13-9+
InChIKeyOWJDLPVVCCZQRA-UKTHLTGXSA-N
XLogP2.90
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Furfenorex
CID 26762
N'-[(E)-phenylmethylidene]furan-2-carbohydrazide
CID 6869164
1H-Indene-1,3(2H)-dione, 2-(((2-furanylmethyl)amino)methylene)-
CID 135411334
Benzyl(furan-2-ylmethyl)amine
CID 39338
4-{[(2-Furylmethyl)imino]methyl}-2-methoxyphenol
CID 557406
N-Furfurylidene-M-toluidine
CID 5046711
(E)-((furan-2-yl)methyl)((furan-2-yl)methylidene)amine
CID 556910
3-(Furan-2-ylmethylimino)cyclohexan-1-one
CID 2317461
2-{[(Furan-2-ylmethyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
CID 135447669
N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine
CID 6869187
N-furfurylidene-p-toluidine
CID 899953
N-[(E)-2-Furylmethylidene]-2-phenylethanamine
CID 572635

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-phenylmethanimine?
The IUPAC name of N-(furan-2-ylmethyl)-1-phenylmethanimine (CID 3397574) is N-(furan-2-ylmethyl)-1-phenylmethanimine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-phenylmethanimine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-phenylmethanimine is C(=N/Cc1ccco1)\c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-phenylmethanimine?
The InChIKey is OWJDLPVVCCZQRA-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-9H,10H2/b13-9+.
What are the key properties of N-(furan-2-ylmethyl)-1-phenylmethanimine?
N-(furan-2-ylmethyl)-1-phenylmethanimine has a molecular weight of 185.23 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-phenylmethanimine is sourced from PubChem (CID 3397574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).