N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine

C158H244N12O17S2 — CID 159956640

IUPACN-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine
SMILESCC(C)COCCCN1CCOCC1.CC(C)COCCN(C)c1ccccc1.CC(C)COCCN1CCOC1=O.CC(C)COCCN1CCOCC1.CC(C)COCCc1cccnc1.CC(C)COCCc1cccs1.CC(C)COCCn1ccnc1.CC(C)COCc1ccc(-n2ccc3ccccc32)cc1.CC(C)COCc1ccc(-n2ncc3ccccc32)cc1.CC(C)COCc1ccc(C#N)cc1.Cc1ccc(CCOCC(C)C)cc1.Cc1cccc(CCOCC(C)C)c1.Cc1ncsc1CCOCC(C)C
InChIInChI=1S/C19H21NO.C18H20N2O.C13H21NO.2C13H20O.C12H15NO.C11H23NO2.C11H17NO.C10H21NO2.C10H17NOS.C10H16OS.C9H16N2O.C9H17NO3/c1-15(2)13-21-14-16-7-9-18(10-8-16)20-12-11-17-5-3-4-6-19(17)20;1-14(2)12-21-13-15-7-9-17(10-8-15)20-18-6-4-3-5-16(18)11-19-20;1-12(2)11-15-10-9-14(3)13-7-5-4-6-8-13;1-11(2)10-14-9-8-13-6-4-12(3)5-7-13;1-11(2)10-14-8-7-13-6-4-5-12(3)9-13;1-10(2)8-14-9-12-5-3-11(7-13)4-6-12;1-11(2)10-14-7-3-4-12-5-8-13-9-6-12;1-10(2)9-13-7-5-11-4-3-6-12-8-11;1-10(2)9-13-8-5-11-3-6-12-7-4-11;1-8(2)6-12-5-4-10-9(3)11-7-13-10;1-9(2)8-11-6-5-10-4-3-7-12-10;1-9(2)7-12-6-5-11-4-3-10-8-11;1-8(2)7-12-5-3-10-4-6-13-9(10)11/h3-12,15H,13-14H2,1-2H3;3-11,14H,12-13H2,1-2H3;4-8,12H,9-11H2,1-3H3;4-7,11H,8-10H2,1-3H3;4-6,9,11H,7-8,10H2,1-3H3;3-6,10H,8-9H2,1-2H3;11H,3-10H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;10H,3-9H2,1-2H3;7-8H,4-6H2,1-3H3;3-4,7,9H,5-6,8H2,1-2H3;3-4,8-9H,5-7H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyOCUKWTKOOAILNG-UHFFFAOYSA-N
MW2647.89 g/mol
LogP33.91
Rot. Bonds66

About N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine

N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine (PubChem CID 159956640) has the molecular formula C158H244N12O17S2 and a molecular weight of 2647.89 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine
PubChem CID159956640
Molecular FormulaC158H244N12O17S2
Molecular Weight2647.89 g/mol
Exact Mass2645.80
IUPAC NameN-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine
SMILESCC(C)COCCCN1CCOCC1.CC(C)COCCN(C)c1ccccc1.CC(C)COCCN1CCOC1=O.CC(C)COCCN1CCOCC1.CC(C)COCCc1cccnc1.CC(C)COCCc1cccs1.CC(C)COCCn1ccnc1.CC(C)COCc1ccc(-n2ccc3ccccc32)cc1.CC(C)COCc1ccc(-n2ncc3ccccc32)cc1.CC(C)COCc1ccc(C#N)cc1.Cc1ccc(CCOCC(C)C)cc1.Cc1cccc(CCOCC(C)C)c1.Cc1ncsc1CCOCC(C)C
InChIInChI=1S/C19H21NO.C18H20N2O.C13H21NO.2C13H20O.C12H15NO.C11H23NO2.C11H17NO.C10H21NO2.C10H17NOS.C10H16OS.C9H16N2O.C9H17NO3/c1-15(2)13-21-14-16-7-9-18(10-8-16)20-12-11-17-5-3-4-6-19(17)20;1-14(2)12-21-13-15-7-9-17(10-8-15)20-18-6-4-3-5-16(18)11-19-20;1-12(2)11-15-10-9-14(3)13-7-5-4-6-8-13;1-11(2)10-14-9-8-13-6-4-12(3)5-7-13;1-11(2)10-14-8-7-13-6-4-5-12(3)9-13;1-10(2)8-14-9-12-5-3-11(7-13)4-6-12;1-11(2)10-14-7-3-4-12-5-8-13-9-6-12;1-10(2)9-13-7-5-11-4-3-6-12-8-11;1-10(2)9-13-8-5-11-3-6-12-7-4-11;1-8(2)6-12-5-4-10-9(3)11-7-13-10;1-9(2)8-11-6-5-10-4-3-7-12-10;1-9(2)7-12-6-5-11-4-3-10-8-11;1-8(2)7-12-5-3-10-4-6-13-9(10)11/h3-12,15H,13-14H2,1-2H3;3-11,14H,12-13H2,1-2H3;4-8,12H,9-11H2,1-3H3;4-7,11H,8-10H2,1-3H3;4-6,9,11H,7-8,10H2,1-3H3;3-6,10H,8-9H2,1-2H3;11H,3-10H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;10H,3-9H2,1-2H3;7-8H,4-6H2,1-3H3;3-4,7,9H,5-6,8H2,1-2H3;3-4,8-9H,5-7H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyOCUKWTKOOAILNG-UHFFFAOYSA-N
XLogP33.91
TPSA267.85 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds66
Heavy Atoms189
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002647.89
LogP ≤ 533.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine?
The IUPAC name of N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine (CID 159956640) is N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine.
What is the SMILES notation for N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine?
The canonical SMILES for N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine is CC(C)COCCCN1CCOCC1.CC(C)COCCN(C)c1ccccc1.CC(C)COCCN1CCOC1=O.CC(C)COCCN1CCOCC1.CC(C)COCCc1cccnc1.CC(C)COCCc1cccs1.CC(C)COCCn1ccnc1.CC(C)COCc1ccc(-n2ccc3ccccc32)cc1.CC(C)COCc1ccc(-n2ncc3ccccc32)cc1.CC(C)COCc1ccc(C#N)cc1.Cc1ccc(CCOCC(C)C)cc1.Cc1cccc(CCOCC(C)C)c1.Cc1ncsc1CCOCC(C)C.
What is the InChIKey of N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine?
The InChIKey is OCUKWTKOOAILNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.C18H20N2O.C13H21NO.2C13H20O.C12H15NO.C11H23NO2.C11H17NO.C10H21NO2.C10H17NOS.C10H16OS.C9H16N2O.C9H17NO3/c1-15(2)13-21-14-16-7-9-18(10-8-16)20-12-11-17-5-3-4-6-19(17)20;1-14(2)12-21-13-15-7-9-17(10-8-15)20-18-6-4-3-5-16(18)11-19-20;1-12(2)11-15-10-9-14(3)13-7-5-4-6-8-13;1-11(2)10-14-9-8-13-6-4-12(3)5-7-13;1-11(2)10-14-8-7-13-6-4-5-12(3)9-13;1-10(2)8-14-9-12-5-3-11(7-13)4-6-12;1-11(2)10-14-7-3-4-12-5-8-13-9-6-12;1-10(2)9-13-7-5-11-4-3-6-12-8-11;1-10(2)9-13-8-5-11-3-6-12-7-4-11;1-8(2)6-12-5-4-10-9(3)11-7-13-10;1-9(2)8-11-6-5-10-4-3-7-12-10;1-9(2)7-12-6-5-11-4-3-10-8-11;1-8(2)7-12-5-3-10-4-6-13-9(10)11/h3-12,15H,13-14H2,1-2H3;3-11,14H,12-13H2,1-2H3;4-8,12H,9-11H2,1-3H3;4-7,11H,8-10H2,1-3H3;4-6,9,11H,7-8,10H2,1-3H3;3-6,10H,8-9H2,1-2H3;11H,3-10H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;10H,3-9H2,1-2H3;7-8H,4-6H2,1-3H3;3-4,7,9H,5-6,8H2,1-2H3;3-4,8-9H,5-7H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine?
N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine has a molecular weight of 2647.89 g/mol, XLogP of 33.91, 66 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine is sourced from PubChem (CID 159956640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).