(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine

C22H20N2O — CID 164624389

IUPAC(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccccc3)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-25-20-14-12-19(13-15-20)24-21(17-8-4-2-5-9-17)16-22(24)23-18-10-6-3-7-11-18/h2-15,21H,16H2,1H3/b23-22+/t21-/m0/s1
InChIKeyGDDAGDFGUCWONA-JSMIYBGHSA-N
MW328.42 g/mol
LogP5.38
Rot. Bonds4

About (4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine

(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine (PubChem CID 164624389) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine.

Molecular Properties

Compound Name(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
PubChem CID164624389
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccccc3)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-25-20-14-12-19(13-15-20)24-21(17-8-4-2-5-9-17)16-22(24)23-18-10-6-3-7-11-18/h2-15,21H,16H2,1H3/b23-22+/t21-/m0/s1
InChIKeyGDDAGDFGUCWONA-JSMIYBGHSA-N
XLogP5.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine
CID 126702634
1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine
CID 126702630
1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702629
2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol
CID 137498449
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine
CID 126702623
2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol
CID 170238899
6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile
CID 15366597
3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one
CID 101465813
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine
CID 135021339
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine?
The IUPAC name of (4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine (CID 164624389) is (4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine.
What is the SMILES notation for (4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine?
The canonical SMILES for (4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine is COc1ccc(N2/C(=N/c3ccccc3)C[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine?
The InChIKey is GDDAGDFGUCWONA-JSMIYBGHSA-N. The full InChI is InChI=1S/C22H20N2O/c1-25-20-14-12-19(13-15-20)24-21(17-8-4-2-5-9-17)16-22(24)23-18-10-6-3-7-11-18/h2-15,21H,16H2,1H3/b23-22+/t21-/m0/s1.
What are the key properties of (4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine?
(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine has a molecular weight of 328.42 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine is sourced from PubChem (CID 164624389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).