N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine

C24H24N2O3 — CID 126702693

IUPACN,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine
SMILESCOc1cc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O3/c1-27-21-14-19(15-22(28-2)24(21)29-3)26-20(17-10-6-4-7-11-17)16-23(26)25-18-12-8-5-9-13-18/h4-15,20H,16H2,1-3H3/b25-23+
InChIKeyUAZHPECELNHBFJ-WJTDDFOZSA-N
MW388.47 g/mol
LogP5.39
Rot. Bonds6

About N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine

N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine (PubChem CID 126702693) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine.

Molecular Properties

Compound NameN,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine
PubChem CID126702693
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine
SMILESCOc1cc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O3/c1-27-21-14-19(15-22(28-2)24(21)29-3)26-20(17-10-6-4-7-11-17)16-23(26)25-18-12-8-5-9-13-18/h4-15,20H,16H2,1-3H3/b25-23+
InChIKeyUAZHPECELNHBFJ-WJTDDFOZSA-N
XLogP5.39
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine
CID 126702623
1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702625
1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702637
N-benzhydryl-3,4,5-trimethoxyaniline
CID 2531134
(2R,6S)-6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine
CID 46937168
(3R,4S)-4-(4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidine-2-thione
CID 53321819
(1-Methyl-3-phenylpropyl)(3,4,5-trimethoxyphenyl)amine
CID 2846918
1,4-bis(4-methoxyphenyl)-N-phenylazetidin-2-imine
CID 126702639
1-(3,4-dimethoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702798
1-(1,3-benzodioxol-5-yl)-N,4-diphenylazetidin-2-imine
CID 126702801
4-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidine-2-thione
CID 50906433
(4R)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 164609500

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine?
The IUPAC name of N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine (CID 126702693) is N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine.
What is the SMILES notation for N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine?
The canonical SMILES for N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine is COc1cc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine?
The InChIKey is UAZHPECELNHBFJ-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-27-21-14-19(15-22(28-2)24(21)29-3)26-20(17-10-6-4-7-11-17)16-23(26)25-18-12-8-5-9-13-18/h4-15,20H,16H2,1-3H3/b25-23+.
What are the key properties of N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine?
N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine has a molecular weight of 388.47 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-imine is sourced from PubChem (CID 126702693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).