N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine

C20H25Cl2N2O2P — CID 13103960

IUPACN-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine
SMILESCCOP(=Nc1ccccc1)(OC(=C(Cl)Cl)c1ccccc1)N(CC)CC
InChIInChI=1S/C20H25Cl2N2O2P/c1-4-24(5-2)27(25-6-3,23-18-15-11-8-12-16-18)26-19(20(21)22)17-13-9-7-10-14-17/h7-16H,4-6H2,1-3H3
InChIKeyOGNLCVVBZBHNML-UHFFFAOYSA-N
MW427.31 g/mol
LogP7.46
Rot. Bonds9

About N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine

N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine (PubChem CID 13103960) has the molecular formula C20H25Cl2N2O2P and a molecular weight of 427.31 g/mol. Its IUPAC name is N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine
PubChem CID13103960
Molecular FormulaC20H25Cl2N2O2P
Molecular Weight427.31 g/mol
Exact Mass426.10
IUPAC NameN-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine
SMILESCCOP(=Nc1ccccc1)(OC(=C(Cl)Cl)c1ccccc1)N(CC)CC
InChIInChI=1S/C20H25Cl2N2O2P/c1-4-24(5-2)27(25-6-3,23-18-15-11-8-12-16-18)26-19(20(21)22)17-13-9-7-10-14-17/h7-16H,4-6H2,1-3H3
InChIKeyOGNLCVVBZBHNML-UHFFFAOYSA-N
XLogP7.46
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.31
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine
CID 23265155
diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane
CID 13103962
1-[diethoxy(phenylimino)-lambda5-phosphanyl]-N,1-diphenylmethanimine
CID 13407637
N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine
CID 23417464
sodium diethoxy-oxido-phenylimino-λ5-phosphane
CID 134873244
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine
CID 6307479
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
diethyl 2-[1-[diethoxy(phenylimino)-lambda5-phosphanyl]oxyethylidene]propanedioate
CID 13110605
ethyl (E)-3-[bis(diethylamino)-phenylimino-λ5-phosphanyl]oxy-4,4,4-trifluorobut-2-enoate
CID 134881069
[1,2-bis(ethylperoxy)-2-phenylethenyl]benzene
CID 54173331

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine (CID 13103960) is N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine is CCOP(=Nc1ccccc1)(OC(=C(Cl)Cl)c1ccccc1)N(CC)CC.
What is the InChIKey of N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
The InChIKey is OGNLCVVBZBHNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N2O2P/c1-4-24(5-2)27(25-6-3,23-18-15-11-8-12-16-18)26-19(20(21)22)17-13-9-7-10-14-17/h7-16H,4-6H2,1-3H3.
What are the key properties of N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine has a molecular weight of 427.31 g/mol, XLogP of 7.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 13103960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).