2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline

C24H26N2O — CID 139077384

IUPAC2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline
SMILESCCc1cccc(CC)c1/N=C/c1ccccc1Nc1ccc(OC)cc1
InChIInChI=1S/C24H26N2O/c1-4-18-10-8-11-19(5-2)24(18)25-17-20-9-6-7-12-23(20)26-21-13-15-22(27-3)16-14-21/h6-17,26H,4-5H2,1-3H3/b25-17+
InChIKeyAXINDRSCZBWJLV-KOEQRZSOSA-N
MW358.49 g/mol
LogP6.31
Rot. Bonds7

About 2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline

2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline (PubChem CID 139077384) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline
PubChem CID139077384
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline
SMILESCCc1cccc(CC)c1/N=C/c1ccccc1Nc1ccc(OC)cc1
InChIInChI=1S/C24H26N2O/c1-4-18-10-8-11-19(5-2)24(18)25-17-20-9-6-7-12-23(20)26-21-13-15-22(27-3)16-14-21/h6-17,26H,4-5H2,1-3H3/b25-17+
InChIKeyAXINDRSCZBWJLV-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline?
The IUPAC name of 2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline (CID 139077384) is 2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for 2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline?
The canonical SMILES for 2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline is CCc1cccc(CC)c1/N=C/c1ccccc1Nc1ccc(OC)cc1.
What is the InChIKey of 2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline?
The InChIKey is AXINDRSCZBWJLV-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H26N2O/c1-4-18-10-8-11-19(5-2)24(18)25-17-20-9-6-7-12-23(20)26-21-13-15-22(27-3)16-14-21/h6-17,26H,4-5H2,1-3H3/b25-17+.
What are the key properties of 2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline?
2-[(2,6-diethylphenyl)iminomethyl]-N-(4-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-(4-methoxyphenyl)aniline is sourced from PubChem (CID 139077384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).