N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine

C221H321Br11Cl11N11O33 — CID 159117319

IUPACN-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine
SMILESCCCc1cc(OCC=C(Br)Br)cc(C(C)C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Br)Br)cc(C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Br)Br)cc(CC)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Br)Br)cc(CCC)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(C(C)C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(CC)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(CCC)c1OCCCON=C(C)C.CCc1cc(OC/C=C(\Cl)Br)cc(CC)c1OCCCON=C(C)C.CCc1cc(OCC=C(Br)Br)cc(C(C)C)c1OCCCON=C(C)C.CCc1cc(OCC=C(Cl)Cl)cc(C(C)C)c1OCCCON=C(C)C
InChIInChI=1S/2C21H31Br2NO3.2C21H31Cl2NO3.2C20H29Br2NO3.2C20H29Cl2NO3.C19H27Br2NO3.C19H27BrClNO3.C19H27Cl2NO3/c1-6-8-17-13-18(25-12-9-20(22)23)14-19(15(2)3)21(17)26-10-7-11-27-24-16(4)5;1-5-8-17-14-19(25-13-10-20(22)23)15-18(9-6-2)21(17)26-11-7-12-27-24-16(3)4;1-6-8-17-13-18(25-12-9-20(22)23)14-19(15(2)3)21(17)26-10-7-11-27-24-16(4)5;1-5-8-17-14-19(25-13-10-20(22)23)15-18(9-6-2)21(17)26-11-7-12-27-24-16(3)4;1-6-16-12-17(24-11-8-19(21)22)13-18(14(2)3)20(16)25-9-7-10-26-23-15(4)5;1-5-8-17-14-18(24-12-9-19(21)22)13-16(6-2)20(17)25-10-7-11-26-23-15(3)4;1-6-16-12-17(24-11-8-19(21)22)13-18(14(2)3)20(16)25-9-7-10-26-23-15(4)5;1-5-8-17-14-18(24-12-9-19(21)22)13-16(6-2)20(17)25-10-7-11-26-23-15(3)4;1-5-7-16-13-17(23-11-8-18(20)21)12-15(4)19(16)24-9-6-10-25-22-14(2)3;1-5-15-12-17(23-11-8-18(20)21)13-16(6-2)19(15)24-9-7-10-25-22-14(3)4;1-5-7-16-13-17(23-11-8-18(20)21)12-15(4)19(16)24-9-6-10-25-22-14(2)3/h9,13-15H,6-8,10-12H2,1-5H3;10,14-15H,5-9,11-13H2,1-4H3;9,13-15H,6-8,10-12H2,1-5H3;10,14-15H,5-9,11-13H2,1-4H3;8,12-14H,6-7,9-11H2,1-5H3;9,13-14H,5-8,10-12H2,1-4H3;8,12-14H,6-7,9-11H2,1-5H3;9,13-14H,5-8,10-12H2,1-4H3;3*8,12-13H,5-7,9-11H2,1-4H3/b;;;;;;;;;18-8-;
InChIKeyKFGDLQMCMPABCR-RUMKDBPQSA-N
MW4928.97 g/mol
LogP69.95
Rot. Bonds129

About N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine

N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine (PubChem CID 159117319) has the molecular formula C221H321Br11Cl11N11O33 and a molecular weight of 4928.97 g/mol. Its IUPAC name is N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine.

Molecular Properties

Compound NameN-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine
PubChem CID159117319
Molecular FormulaC221H321Br11Cl11N11O33
Molecular Weight4928.97 g/mol
Exact Mass4910.14
IUPAC NameN-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine
SMILESCCCc1cc(OCC=C(Br)Br)cc(C(C)C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Br)Br)cc(C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Br)Br)cc(CC)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Br)Br)cc(CCC)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(C(C)C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(CC)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(CCC)c1OCCCON=C(C)C.CCc1cc(OC/C=C(\Cl)Br)cc(CC)c1OCCCON=C(C)C.CCc1cc(OCC=C(Br)Br)cc(C(C)C)c1OCCCON=C(C)C.CCc1cc(OCC=C(Cl)Cl)cc(C(C)C)c1OCCCON=C(C)C
InChIInChI=1S/2C21H31Br2NO3.2C21H31Cl2NO3.2C20H29Br2NO3.2C20H29Cl2NO3.C19H27Br2NO3.C19H27BrClNO3.C19H27Cl2NO3/c1-6-8-17-13-18(25-12-9-20(22)23)14-19(15(2)3)21(17)26-10-7-11-27-24-16(4)5;1-5-8-17-14-19(25-13-10-20(22)23)15-18(9-6-2)21(17)26-11-7-12-27-24-16(3)4;1-6-8-17-13-18(25-12-9-20(22)23)14-19(15(2)3)21(17)26-10-7-11-27-24-16(4)5;1-5-8-17-14-19(25-13-10-20(22)23)15-18(9-6-2)21(17)26-11-7-12-27-24-16(3)4;1-6-16-12-17(24-11-8-19(21)22)13-18(14(2)3)20(16)25-9-7-10-26-23-15(4)5;1-5-8-17-14-18(24-12-9-19(21)22)13-16(6-2)20(17)25-10-7-11-26-23-15(3)4;1-6-16-12-17(24-11-8-19(21)22)13-18(14(2)3)20(16)25-9-7-10-26-23-15(4)5;1-5-8-17-14-18(24-12-9-19(21)22)13-16(6-2)20(17)25-10-7-11-26-23-15(3)4;1-5-7-16-13-17(23-11-8-18(20)21)12-15(4)19(16)24-9-6-10-25-22-14(2)3;1-5-15-12-17(23-11-8-18(20)21)13-16(6-2)19(15)24-9-7-10-25-22-14(3)4;1-5-7-16-13-17(23-11-8-18(20)21)12-15(4)19(16)24-9-6-10-25-22-14(2)3/h9,13-15H,6-8,10-12H2,1-5H3;10,14-15H,5-9,11-13H2,1-4H3;9,13-15H,6-8,10-12H2,1-5H3;10,14-15H,5-9,11-13H2,1-4H3;8,12-14H,6-7,9-11H2,1-5H3;9,13-14H,5-8,10-12H2,1-4H3;8,12-14H,6-7,9-11H2,1-5H3;9,13-14H,5-8,10-12H2,1-4H3;3*8,12-13H,5-7,9-11H2,1-4H3/b;;;;;;;;;18-8-;
InChIKeyKFGDLQMCMPABCR-RUMKDBPQSA-N
XLogP69.95
TPSA440.55 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds129
Heavy Atoms287
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004928.97
LogP ≤ 569.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

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-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine?
The IUPAC name of N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine (CID 159117319) is N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine.
What is the SMILES notation for N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine?
The canonical SMILES for N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine is CCCc1cc(OCC=C(Br)Br)cc(C(C)C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Br)Br)cc(C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Br)Br)cc(CC)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Br)Br)cc(CCC)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(C(C)C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(CC)c1OCCCON=C(C)C.CCCc1cc(OCC=C(Cl)Cl)cc(CCC)c1OCCCON=C(C)C.CCc1cc(OC/C=C(\Cl)Br)cc(CC)c1OCCCON=C(C)C.CCc1cc(OCC=C(Br)Br)cc(C(C)C)c1OCCCON=C(C)C.CCc1cc(OCC=C(Cl)Cl)cc(C(C)C)c1OCCCON=C(C)C.
What is the InChIKey of N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine?
The InChIKey is KFGDLQMCMPABCR-RUMKDBPQSA-N. The full InChI is InChI=1S/2C21H31Br2NO3.2C21H31Cl2NO3.2C20H29Br2NO3.2C20H29Cl2NO3.C19H27Br2NO3.C19H27BrClNO3.C19H27Cl2NO3/c1-6-8-17-13-18(25-12-9-20(22)23)14-19(15(2)3)21(17)26-10-7-11-27-24-16(4)5;1-5-8-17-14-19(25-13-10-20(22)23)15-18(9-6-2)21(17)26-11-7-12-27-24-16(3)4;1-6-8-17-13-18(25-12-9-20(22)23)14-19(15(2)3)21(17)26-10-7-11-27-24-16(4)5;1-5-8-17-14-19(25-13-10-20(22)23)15-18(9-6-2)21(17)26-11-7-12-27-24-16(3)4;1-6-16-12-17(24-11-8-19(21)22)13-18(14(2)3)20(16)25-9-7-10-26-23-15(4)5;1-5-8-17-14-18(24-12-9-19(21)22)13-16(6-2)20(17)25-10-7-11-26-23-15(3)4;1-6-16-12-17(24-11-8-19(21)22)13-18(14(2)3)20(16)25-9-7-10-26-23-15(4)5;1-5-8-17-14-18(24-12-9-19(21)22)13-16(6-2)20(17)25-10-7-11-26-23-15(3)4;1-5-7-16-13-17(23-11-8-18(20)21)12-15(4)19(16)24-9-6-10-25-22-14(2)3;1-5-15-12-17(23-11-8-18(20)21)13-16(6-2)19(15)24-9-7-10-25-22-14(3)4;1-5-7-16-13-17(23-11-8-18(20)21)12-15(4)19(16)24-9-6-10-25-22-14(2)3/h9,13-15H,6-8,10-12H2,1-5H3;10,14-15H,5-9,11-13H2,1-4H3;9,13-15H,6-8,10-12H2,1-5H3;10,14-15H,5-9,11-13H2,1-4H3;8,12-14H,6-7,9-11H2,1-5H3;9,13-14H,5-8,10-12H2,1-4H3;8,12-14H,6-7,9-11H2,1-5H3;9,13-14H,5-8,10-12H2,1-4H3;3*8,12-13H,5-7,9-11H2,1-4H3/b;;;;;;;;;18-8-;.
What are the key properties of N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine?
N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine has a molecular weight of 4928.97 g/mol, XLogP of 69.95, 129 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2,6-diethylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dibromoprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-dipropylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propan-2-ylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-methyl-6-propylphenoxy]propoxy]propan-2-imine;N-[3-[4-(3,3-dichloroprop-2-enoxy)-2-propan-2-yl-6-propylphenoxy]propoxy]propan-2-imine is sourced from PubChem (CID 159117319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).