1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine

C20H14N2O2 — CID 708047

IUPAC1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine
SMILESC(=N/c1cccc2c(/N=C/c3ccco3)cccc12)\c1ccco1
InChIInChI=1S/C20H14N2O2/c1-7-17-18(19(9-1)21-13-15-5-3-11-23-15)8-2-10-20(17)22-14-16-6-4-12-24-16/h1-14H/b21-13+,22-14+
InChIKeyPRXNXMIGZLMOBX-JFMUQQRKSA-N
MW314.34 g/mol
LogP5.53
Rot. Bonds4

About 1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine

1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine (PubChem CID 708047) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine
PubChem CID708047
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine
SMILESC(=N/c1cccc2c(/N=C/c3ccco3)cccc12)\c1ccco1
InChIInChI=1S/C20H14N2O2/c1-7-17-18(19(9-1)21-13-15-5-3-11-23-15)8-2-10-20(17)22-14-16-6-4-12-24-16/h1-14H/b21-13+,22-14+
InChIKeyPRXNXMIGZLMOBX-JFMUQQRKSA-N
XLogP5.53
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Furfurylidene-M-toluidine
CID 5046711
p-Phenylenediamine, N,N'-difurfurylidene-
CID 99740
N-[(E)-furan-2-ylmethylidene]-2-methylaniline
CID 684233
N-(2-furylmethylidene)-3-trifluoromethylaniline
CID 964461
N-(2-furylmethylidene)-2-trifluoromethylaniline
CID 12032358
(e)-N-[5-(2-trifluoromethylphenyl)furan-2-yl-methylidene]naphthalen-2-amine
CID 129758992
1-(furan-2-yl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
CID 176437687
1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine
CID 681313
N,N'-bis[(E)-furan-2-ylmethylidene]biphenyl-4,4'-diamine
CID 827669
4,4'-Methylenebis(N-furfurylideneaniline)
CID 111180
N-[3-(trifluoromethyl)phenyl]-1-[5-[[3-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine
CID 117607405
N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine
CID 118602896

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine?
The IUPAC name of 1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine (CID 708047) is 1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine is C(=N/c1cccc2c(/N=C/c3ccco3)cccc12)\c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine?
The InChIKey is PRXNXMIGZLMOBX-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H14N2O2/c1-7-17-18(19(9-1)21-13-15-5-3-11-23-15)8-2-10-20(17)22-14-16-6-4-12-24-16/h1-14H/b21-13+,22-14+.
What are the key properties of 1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine?
1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine has a molecular weight of 314.34 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[5-(furan-2-ylmethylideneamino)naphthalen-1-yl]methanimine is sourced from PubChem (CID 708047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).