N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine

C22H19NO2 — CID 20708750

IUPACN-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2cccc(C3OCCO3)c2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-3-8-17(9-4-1)21(18-10-5-2-6-11-18)23-20-13-7-12-19(16-20)22-24-14-15-25-22/h1-13,16,22H,14-15H2
InChIKeyCJXHAYANKHDSOB-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.90
Rot. Bonds4

About N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine

N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine (PubChem CID 20708750) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine
PubChem CID20708750
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC NameN-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2cccc(C3OCCO3)c2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-3-8-17(9-4-1)21(18-10-5-2-6-11-18)23-20-13-7-12-19(16-20)22-24-14-15-25-22/h1-13,16,22H,14-15H2
InChIKeyCJXHAYANKHDSOB-UHFFFAOYSA-N
XLogP4.90
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
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 N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine (CID 20708750) is N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine is c1ccc(C(=Nc2cccc(C3OCCO3)c2)c2ccccc2)cc1.
What is the InChIKey of N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine?
The InChIKey is CJXHAYANKHDSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-3-8-17(9-4-1)21(18-10-5-2-6-11-18)23-20-13-7-12-19(16-20)22-24-14-15-25-22/h1-13,16,22H,14-15H2.
What are the key properties of N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine?
N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine has a molecular weight of 329.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 20708750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).