N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine

C23H22N2 — CID 4649996

IUPACN-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine
SMILESCC(=NN=C(c1ccccc1)c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C23H22N2/c1-17-14-15-22(16-18(17)2)19(3)24-25-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16H,1-3H3
InChIKeyKVIATUMOSPUQNC-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.57
Rot. Bonds4

About N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine

N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine (PubChem CID 4649996) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine
PubChem CID4649996
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC NameN-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine
SMILESCC(=NN=C(c1ccccc1)c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C23H22N2/c1-17-14-15-22(16-18(17)2)19(3)24-25-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16H,1-3H3
InChIKeyKVIATUMOSPUQNC-UHFFFAOYSA-N
XLogP5.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine?
The IUPAC name of N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine (CID 4649996) is N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine.
What is the SMILES notation for N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine?
The canonical SMILES for N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine is CC(=NN=C(c1ccccc1)c1ccccc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine?
The InChIKey is KVIATUMOSPUQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-17-14-15-22(16-18(17)2)19(3)24-25-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16H,1-3H3.
What are the key properties of N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine?
N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine has a molecular weight of 326.44 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine is sourced from PubChem (CID 4649996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).