N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine

C24H27N2O2P — CID 23417708

IUPACN-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine
SMILESCCOP(=Nc1ccccc1)(OCC)C(N=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N2O2P/c1-3-27-29(28-4-2,26-23-18-12-7-13-19-23)24(22-16-10-6-11-17-22)25-20-21-14-8-5-9-15-21/h5-20,24H,3-4H2,1-2H3
InChIKeyYMQRTQFFBPXBHJ-UHFFFAOYSA-N
MW406.47 g/mol
LogP7.24
Rot. Bonds9

About N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine

N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine (PubChem CID 23417708) has the molecular formula C24H27N2O2P and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine
PubChem CID23417708
Molecular FormulaC24H27N2O2P
Molecular Weight406.47 g/mol
Exact Mass406.18
IUPAC NameN-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine
SMILESCCOP(=Nc1ccccc1)(OCC)C(N=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N2O2P/c1-3-27-29(28-4-2,26-23-18-12-7-13-19-23)24(22-16-10-6-11-17-22)25-20-21-14-8-5-9-15-21/h5-20,24H,3-4H2,1-2H3
InChIKeyYMQRTQFFBPXBHJ-UHFFFAOYSA-N
XLogP7.24
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine
CID 6157504
(E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine
CID 14908454
N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine
CID 23265155
1-(benzylideneamino)ethanol
CID 66697160
sodium diethoxy-oxido-phenylimino-λ5-phosphane
CID 134873244
N-(2-methyl-1-phenylpropyl)-1-phenylmethanimine
CID 12733574
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
ethyl 2-[(4-chlorophenyl)methylideneamino]-2-phenylacetate
CID 10662075
1-[diethoxy(phenylimino)-lambda5-phosphanyl]-N,1-diphenylmethanimine
CID 13407637
N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine
CID 172686597
4-[[(1S)-1-phenylpropyl]iminomethyl]phenol
CID 135750361
1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine
CID 101228491

Frequently Asked Questions

What is the IUPAC name of N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine?
The IUPAC name of N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine (CID 23417708) is N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine.
What is the SMILES notation for N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine?
The canonical SMILES for N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine is CCOP(=Nc1ccccc1)(OCC)C(N=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine?
The InChIKey is YMQRTQFFBPXBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N2O2P/c1-3-27-29(28-4-2,26-23-18-12-7-13-19-23)24(22-16-10-6-11-17-22)25-20-21-14-8-5-9-15-21/h5-20,24H,3-4H2,1-2H3.
What are the key properties of N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine?
N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine has a molecular weight of 406.47 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine is sourced from PubChem (CID 23417708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).