2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol

C24H24N2O2 — CID 170238899

IUPAC2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol
SMILESCc1ccccc1/N=C1\CC(c2ccccc2)N1c1ccc(OCCO)cc1
InChIInChI=1S/C24H24N2O2/c1-18-7-5-6-10-22(18)25-24-17-23(19-8-3-2-4-9-19)26(24)20-11-13-21(14-12-20)28-16-15-27/h2-14,23,27H,15-17H2,1H3/b25-24+
InChIKeyGMUWAHALEWKVGI-OCOZRVBESA-N
MW372.47 g/mol
LogP5.05
Rot. Bonds6

About 2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol

2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol (PubChem CID 170238899) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol
PubChem CID170238899
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol
SMILESCc1ccccc1/N=C1\CC(c2ccccc2)N1c1ccc(OCCO)cc1
InChIInChI=1S/C24H24N2O2/c1-18-7-5-6-10-22(18)25-24-17-23(19-8-3-2-4-9-19)26(24)20-11-13-21(14-12-20)28-16-15-27/h2-14,23,27H,15-17H2,1H3/b25-24+
InChIKeyGMUWAHALEWKVGI-OCOZRVBESA-N
XLogP5.05
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.05
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-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol (CID 170238899) is 2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol is Cc1ccccc1/N=C1\CC(c2ccccc2)N1c1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol?
The InChIKey is GMUWAHALEWKVGI-OCOZRVBESA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18-7-5-6-10-22(18)25-24-17-23(19-8-3-2-4-9-19)26(24)20-11-13-21(14-12-20)28-16-15-27/h2-14,23,27H,15-17H2,1H3/b25-24+.
What are the key properties of 2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol?
2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol has a molecular weight of 372.47 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol is sourced from PubChem (CID 170238899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).