N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine

C82H133N7O13S4 — CID 159060457

IUPACN,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine
SMILESC.C.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN2CCCC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.COCCN(C)S(=O)(=O)c1ccc(C(C)C)cc1.COCCNS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO.C14H22N2O2S.C13H19NO3S.C13H21NO3S.C13H21NO.C12H19NO3S.2CH4/c1-13(2)14-5-7-15(8-6-14)17-12-11-16-9-3-4-10-16;1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14;1-11(2)12-5-7-13(8-6-12)18(15,16)14(3)9-10-17-4;1-11(2)12-5-7-13(8-6-12)15-10-9-14(3)4;1-10(2)11-4-6-12(7-5-11)17(14,15)13-8-9-16-3;;/h5-8,13H,3-4,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-6,11H,7-10H2,1-2H3;5-8,11H,9-10H2,1-4H3;5-8,11H,9-10H2,1-4H3;4-7,10,13H,8-9H2,1-3H3;2*1H4
InChIKeyJYJYXXURURPOQS-UHFFFAOYSA-N
MW1553.27 g/mol
LogP14.70
Rot. Bonds28

About N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine

N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 159060457) has the molecular formula C82H133N7O13S4 and a molecular weight of 1553.27 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID159060457
Molecular FormulaC82H133N7O13S4
Molecular Weight1553.27 g/mol
Exact Mass1551.88
IUPAC NameN,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine
SMILESC.C.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN2CCCC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.COCCN(C)S(=O)(=O)c1ccc(C(C)C)cc1.COCCNS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO.C14H22N2O2S.C13H19NO3S.C13H21NO3S.C13H21NO.C12H19NO3S.2CH4/c1-13(2)14-5-7-15(8-6-14)17-12-11-16-9-3-4-10-16;1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14;1-11(2)12-5-7-13(8-6-12)18(15,16)14(3)9-10-17-4;1-11(2)12-5-7-13(8-6-12)15-10-9-14(3)4;1-10(2)11-4-6-12(7-5-11)17(14,15)13-8-9-16-3;;/h5-8,13H,3-4,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-6,11H,7-10H2,1-2H3;5-8,11H,9-10H2,1-4H3;5-8,11H,9-10H2,1-4H3;4-7,10,13H,8-9H2,1-3H3;2*1H4
InChIKeyJYJYXXURURPOQS-UHFFFAOYSA-N
XLogP14.70
TPSA214.18 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001553.27
LogP ≤ 514.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine (CID 159060457) is N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine is C.C.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN2CCCC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.COCCN(C)S(=O)(=O)c1ccc(C(C)C)cc1.COCCNS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is JYJYXXURURPOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C14H22N2O2S.C13H19NO3S.C13H21NO3S.C13H21NO.C12H19NO3S.2CH4/c1-13(2)14-5-7-15(8-6-14)17-12-11-16-9-3-4-10-16;1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14;1-11(2)12-5-7-13(8-6-12)18(15,16)14(3)9-10-17-4;1-11(2)12-5-7-13(8-6-12)15-10-9-14(3)4;1-10(2)11-4-6-12(7-5-11)17(14,15)13-8-9-16-3;;/h5-8,13H,3-4,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-6,11H,7-10H2,1-2H3;5-8,11H,9-10H2,1-4H3;5-8,11H,9-10H2,1-4H3;4-7,10,13H,8-9H2,1-3H3;2*1H4.
What are the key properties of N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine?
N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine has a molecular weight of 1553.27 g/mol, XLogP of 14.70, 28 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;methane;N-(2-methoxyethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methoxyethyl)-4-propan-2-ylbenzenesulfonamide;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;4-(4-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 159060457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).