N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine

C24H26N2O — CID 22968266

IUPACN-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine
SMILESCCc1cccc(C)c1/N=C/c1ccc(/C=N/c2c(C)cccc2CC)o1
InChIInChI=1S/C24H26N2O/c1-5-19-11-7-9-17(3)23(19)25-15-21-13-14-22(27-21)16-26-24-18(4)10-8-12-20(24)6-2/h7-16H,5-6H2,1-4H3/b25-15+,26-16+
InChIKeyYUERENXBGKKWAS-RYQLWAFASA-N
MW358.49 g/mol
LogP6.52
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine

N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine (PubChem CID 22968266) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine
PubChem CID22968266
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine
SMILESCCc1cccc(C)c1/N=C/c1ccc(/C=N/c2c(C)cccc2CC)o1
InChIInChI=1S/C24H26N2O/c1-5-19-11-7-9-17(3)23(19)25-15-21-13-14-22(27-21)16-26-24-18(4)10-8-12-20(24)6-2/h7-16H,5-6H2,1-4H3/b25-15+,26-16+
InChIKeyYUERENXBGKKWAS-RYQLWAFASA-N
XLogP6.52
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-ethyl-6-methylphenyl)methanimidate
CID 15176777
octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine
CID 158835284
N-(2,6-diethylphenyl)ethanimine;ethane
CID 177158667
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate
CID 45094873
3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol
CID 136753923
dichloroiron;N-(2,6-difluorophenyl)-1-[5-[(2,6-difluorophenyl)iminomethyl]furan-2-yl]methanimine
CID 20701890
N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
CID 5152819
N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine
CID 20701872
1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride
CID 70014357
1-N,2-N-bis(2-ethyl-6-methylphenyl)acenaphthylene-1,2-diimine;carbanide;nickel
CID 20789314
[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide
CID 20701846

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine (CID 22968266) is N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine is CCc1cccc(C)c1/N=C/c1ccc(/C=N/c2c(C)cccc2CC)o1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine?
The InChIKey is YUERENXBGKKWAS-RYQLWAFASA-N. The full InChI is InChI=1S/C24H26N2O/c1-5-19-11-7-9-17(3)23(19)25-15-21-13-14-22(27-21)16-26-24-18(4)10-8-12-20(24)6-2/h7-16H,5-6H2,1-4H3/b25-15+,26-16+.
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine?
N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine has a molecular weight of 358.49 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine is sourced from PubChem (CID 22968266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).