N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine

C21H33N3O4P2 — CID 23265155

IUPACN,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine
SMILESCCOP(=Nc1ccccc1)(OCC)N(C)P(=Nc1ccccc1)(OCC)OCC
InChIInChI=1S/C21H33N3O4P2/c1-6-25-29(26-7-2,22-20-16-12-10-13-17-20)24(5)30(27-8-3,28-9-4)23-21-18-14-11-15-19-21/h10-19H,6-9H2,1-5H3
InChIKeyFEQJTGBTSNGWET-UHFFFAOYSA-N
MW453.46 g/mol
LogP7.62
Rot. Bonds12

About N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine

N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine (PubChem CID 23265155) has the molecular formula C21H33N3O4P2 and a molecular weight of 453.46 g/mol. Its IUPAC name is N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine.

Molecular Properties

Compound NameN,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine
PubChem CID23265155
Molecular FormulaC21H33N3O4P2
Molecular Weight453.46 g/mol
Exact Mass453.19
IUPAC NameN,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine
SMILESCCOP(=Nc1ccccc1)(OCC)N(C)P(=Nc1ccccc1)(OCC)OCC
InChIInChI=1S/C21H33N3O4P2/c1-6-25-29(26-7-2,22-20-16-12-10-13-17-20)24(5)30(27-8-3,28-9-4)23-21-18-14-11-15-19-21/h10-19H,6-9H2,1-5H3
InChIKeyFEQJTGBTSNGWET-UHFFFAOYSA-N
XLogP7.62
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.46
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium diethoxy-oxido-phenylimino-λ5-phosphane
CID 134873244
N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine
CID 13103960
1-[diethoxy(phenylimino)-lambda5-phosphanyl]-N,1-diphenylmethanimine
CID 13407637
diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane
CID 13103962
N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine
CID 23417708
N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine
CID 23417464
ethyl-diphenyl-phenylimino-lambda5-phosphane
CID 13452462
diethyl 2-[1-[diethoxy(phenylimino)-lambda5-phosphanyl]oxyethylidene]propanedioate
CID 13110605
(2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane
CID 23264979
N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline
CID 139617571
N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide
CID 54452615
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634

Frequently Asked Questions

What is the IUPAC name of N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine?
The IUPAC name of N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine (CID 23265155) is N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine.
What is the SMILES notation for N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine?
The canonical SMILES for N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine is CCOP(=Nc1ccccc1)(OCC)N(C)P(=Nc1ccccc1)(OCC)OCC.
What is the InChIKey of N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine?
The InChIKey is FEQJTGBTSNGWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4P2/c1-6-25-29(26-7-2,22-20-16-12-10-13-17-20)24(5)30(27-8-3,28-9-4)23-21-18-14-11-15-19-21/h10-19H,6-9H2,1-5H3.
What are the key properties of N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine?
N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine has a molecular weight of 453.46 g/mol, XLogP of 7.62, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine is sourced from PubChem (CID 23265155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).