2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline

C24H26N2O — CID 91446132

IUPAC2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline
SMILESCCc1cccc(CC)c1/N=C/c1ccccc1Nc1ccccc1OC
InChIInChI=1S/C24H26N2O/c1-4-18-12-10-13-19(5-2)24(18)25-17-20-11-6-7-14-21(20)26-22-15-8-9-16-23(22)27-3/h6-17,26H,4-5H2,1-3H3/b25-17+
InChIKeyIQOQNFGVQYYVPI-KOEQRZSOSA-N
MW358.49 g/mol
LogP6.31
Rot. Bonds7

About 2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline

2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline (PubChem CID 91446132) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline.

Molecular Properties

Compound Name2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline
PubChem CID91446132
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline
SMILESCCc1cccc(CC)c1/N=C/c1ccccc1Nc1ccccc1OC
InChIInChI=1S/C24H26N2O/c1-4-18-12-10-13-19(5-2)24(18)25-17-20-11-6-7-14-21(20)26-22-15-8-9-16-23(22)27-3/h6-17,26H,4-5H2,1-3H3/b25-17+
InChIKeyIQOQNFGVQYYVPI-KOEQRZSOSA-N
XLogP6.31
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzo[cd]indol-2-yl-(2-methoxy-phenyl)-amine
CID 745299
US9205085, Msx-206
CID 8241537
2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline
CID 24782389
[1-Benzyl-8-methoxy-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 10405481
2-methoxy-5-[(E)-2-[3-[(E)-2-[4-methoxy-3-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline
CID 24786216
2-(2-Methoxyphenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 2865685
4-(2-Methoxyphenyl)-N-(3-methylbenzylidene)-1-piperazinamine
CID 5347970
[4-[[2-Methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
CID 137322695
N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline
CID 2349046
[4-[2-Methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium
CID 137349328
N-(2-methoxyphenyl)-N-[(E)-(4-{(E)-[(2-methoxyphenyl)imino]methyl}phenyl)methylidene]amine
CID 317864
2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide
CID 5019501

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline?
The IUPAC name of 2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline (CID 91446132) is 2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline.
What is the SMILES notation for 2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline?
The canonical SMILES for 2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline is CCc1cccc(CC)c1/N=C/c1ccccc1Nc1ccccc1OC.
What is the InChIKey of 2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline?
The InChIKey is IQOQNFGVQYYVPI-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H26N2O/c1-4-18-12-10-13-19(5-2)24(18)25-17-20-11-6-7-14-21(20)26-22-15-8-9-16-23(22)27-3/h6-17,26H,4-5H2,1-3H3/b25-17+.
What are the key properties of 2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline?
2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline has a molecular weight of 358.49 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline is sourced from PubChem (CID 91446132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).