N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine

C70H92Cl12N4O12 — CID 90781373

IUPACN-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine
SMILESCC(C)=NOCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl.CCc1c(OCC=C(Cl)Cl)cc(C)c(OCCON=C(C)C)c1CC.CCc1c(OCC=C(Cl)Cl)cc(Cl)c(OCCON=C(C)C)c1Cl.CCc1cc(OCC=C(Cl)Cl)c(CC)c(CC)c1OCCON=C(C)C
InChIInChI=1S/C20H29Cl2NO3.C19H27Cl2NO3.C16H19Cl4NO3.C15H17Cl4NO3/c1-6-15-13-18(24-10-9-19(21)22)16(7-2)17(8-3)20(15)25-11-12-26-23-14(4)5;1-6-15-16(7-2)19(24-10-11-25-22-13(3)4)14(5)12-17(15)23-9-8-18(20)21;1-4-11-13(22-6-5-14(18)19)9-12(17)16(15(11)20)23-7-8-24-21-10(2)3;1-10(2)20-23-6-3-5-22-15-12(16)8-11(9-13(15)17)21-7-4-14(18)19/h9,13H,6-8,10-12H2,1-5H3;8,12H,6-7,9-11H2,1-5H3;5,9H,4,6-8H2,1-3H3;4,8-9H,3,5-7H2,1-2H3
InChIKeyHOPCHAXGPWMWPF-UHFFFAOYSA-N
MW1606.96 g/mol
LogP23.39
Rot. Bonds39

About N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine

N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine (PubChem CID 90781373) has the molecular formula C70H92Cl12N4O12 and a molecular weight of 1606.96 g/mol. Its IUPAC name is N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine.

Molecular Properties

Compound NameN-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine
PubChem CID90781373
Molecular FormulaC70H92Cl12N4O12
Molecular Weight1606.96 g/mol
Exact Mass1600.30
IUPAC NameN-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine
SMILESCC(C)=NOCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl.CCc1c(OCC=C(Cl)Cl)cc(C)c(OCCON=C(C)C)c1CC.CCc1c(OCC=C(Cl)Cl)cc(Cl)c(OCCON=C(C)C)c1Cl.CCc1cc(OCC=C(Cl)Cl)c(CC)c(CC)c1OCCON=C(C)C
InChIInChI=1S/C20H29Cl2NO3.C19H27Cl2NO3.C16H19Cl4NO3.C15H17Cl4NO3/c1-6-15-13-18(24-10-9-19(21)22)16(7-2)17(8-3)20(15)25-11-12-26-23-14(4)5;1-6-15-16(7-2)19(24-10-11-25-22-13(3)4)14(5)12-17(15)23-9-8-18(20)21;1-4-11-13(22-6-5-14(18)19)9-12(17)16(15(11)20)23-7-8-24-21-10(2)3;1-10(2)20-23-6-3-5-22-15-12(16)8-11(9-13(15)17)21-7-4-14(18)19/h9,13H,6-8,10-12H2,1-5H3;8,12H,6-7,9-11H2,1-5H3;5,9H,4,6-8H2,1-3H3;4,8-9H,3,5-7H2,1-2H3
InChIKeyHOPCHAXGPWMWPF-UHFFFAOYSA-N
XLogP23.39
TPSA160.20 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds39
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001606.96
LogP ≤ 523.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine with MolForge

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Related Compounds

N-[5-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]pentoxy]propan-2-imine
CID 22963826
N-[6-[3-chloro-4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]hexoxy]propan-2-imine
CID 22963921
N-[4-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethyl-3-methylphenoxy]butoxy]propan-2-imine
CID 23379663
N-[4-[2-chloro-4-(3,3-dichloroprop-2-enoxy)-6-methylphenoxy]butoxy]propan-2-imine
CID 22963651
N-[5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]propan-2-imine;N-[5-[2-chloro-4-(3,3-dichloroprop-2-enoxy)-3-fluoro-6-methylphenoxy]pentoxy]propan-2-imine;N-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethyl-3-fluorophenoxy]pentoxy]propan-2-imine;N-[5-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-3-fluoro-6-methylphenoxy]pentoxy]propan-2-imine;N-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)-3-fluorophenoxy]pentoxy]propan-2-imine;N-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-fluorophenoxy]pentoxy]propan-2-imine;N-[5-[2,3-dichloro-4-(3,3-dichloroprop-2-enoxy)-6-methylphenoxy]pentoxy]propan-2-imine;N-[5-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethyl-3-fluorophenoxy]pentoxy]propan-2-imine;N-[5-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-3-fluoro-6-methylphenoxy]pentoxy]propan-2-imine;N-[5-[2,3,6-trichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]propan-2-imine;N-[5-[2,3,6-trichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]propan-2-imine
CID 159471787
N-[6-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethyl-3-methylphenoxy]hexoxy]propan-2-imine
CID 22963944
N-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]propan-2-imine
CID 18429919
N-[4-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-3-fluoro-6-methylphenoxy]butoxy]propan-2-imine
CID 22963700
N-[4-[3-bromo-4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]butoxy]propan-2-imine
CID 23379658
N-[3-[2-bromo-6-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine
CID 22963515
N-[6-[2,3-dichloro-4-(3,3-dichloroprop-2-enoxy)-6-methylphenoxy]hexoxy]propan-2-imine
CID 22963867
N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine
CID 91548140

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine?
The IUPAC name of N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine (CID 90781373) is N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine.
What is the SMILES notation for N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine?
The canonical SMILES for N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine is CC(C)=NOCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl.CCc1c(OCC=C(Cl)Cl)cc(C)c(OCCON=C(C)C)c1CC.CCc1c(OCC=C(Cl)Cl)cc(Cl)c(OCCON=C(C)C)c1Cl.CCc1cc(OCC=C(Cl)Cl)c(CC)c(CC)c1OCCON=C(C)C.
What is the InChIKey of N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine?
The InChIKey is HOPCHAXGPWMWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl2NO3.C19H27Cl2NO3.C16H19Cl4NO3.C15H17Cl4NO3/c1-6-15-13-18(24-10-9-19(21)22)16(7-2)17(8-3)20(15)25-11-12-26-23-14(4)5;1-6-15-16(7-2)19(24-10-11-25-22-13(3)4)14(5)12-17(15)23-9-8-18(20)21;1-4-11-13(22-6-5-14(18)19)9-12(17)16(15(11)20)23-7-8-24-21-10(2)3;1-10(2)20-23-6-3-5-22-15-12(16)8-11(9-13(15)17)21-7-4-14(18)19/h9,13H,6-8,10-12H2,1-5H3;8,12H,6-7,9-11H2,1-5H3;5,9H,4,6-8H2,1-3H3;4,8-9H,3,5-7H2,1-2H3.
What are the key properties of N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine?
N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine has a molecular weight of 1606.96 g/mol, XLogP of 23.39, 39 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-ethylphenoxy]ethoxy]propan-2-imine;N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3-diethyl-6-methylphenoxy]ethoxy]propan-2-imine;N-[2-[4-(3,3-dichloroprop-2-enoxy)-2,3,6-triethylphenoxy]ethoxy]propan-2-imine is sourced from PubChem (CID 90781373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).