4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline

C23H23N3O — CID 177040479

IUPAC4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline
SMILESCCOc1cc(N)c(/C=N/C)cc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N3O/c1-3-27-22-15-20(24)19(16-25-2)14-21(22)26-23(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16H,3,24H2,1-2H3/b25-16+
InChIKeyMXEXXWWTFPCLNY-PCLIKHOPSA-N
MW357.46 g/mol
LogP4.89
Rot. Bonds6

About 4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline

4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline (PubChem CID 177040479) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline.

Molecular Properties

Compound Name4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline
PubChem CID177040479
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline
SMILESCCOc1cc(N)c(/C=N/C)cc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N3O/c1-3-27-22-15-20(24)19(16-25-2)14-21(22)26-23(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16H,3,24H2,1-2H3/b25-16+
InChIKeyMXEXXWWTFPCLNY-PCLIKHOPSA-N
XLogP4.89
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline?
The IUPAC name of 4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline (CID 177040479) is 4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline.
What is the SMILES notation for 4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline?
The canonical SMILES for 4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline is CCOc1cc(N)c(/C=N/C)cc1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline?
The InChIKey is MXEXXWWTFPCLNY-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H23N3O/c1-3-27-22-15-20(24)19(16-25-2)14-21(22)26-23(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16H,3,24H2,1-2H3/b25-16+.
What are the key properties of 4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline?
4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline has a molecular weight of 357.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylideneamino)-5-ethoxy-2-(methyliminomethyl)aniline is sourced from PubChem (CID 177040479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).