N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine

C244H375N21O17S2 — CID 158304126

IUPACN,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
SMILESCC(C)c1ccc(C2CCNCC2)cc1.CC(C)c1ccc(C2CCOCC2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(CNCCN2CCOCC2)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(CS(C)(=O)=O)cc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.COCCCOc1ccc(C(C)C)cc1.COCCN1CCN(c2ccc(C(C)C)cc2)CC1.COCCNCc1ccc(C(C)C)cc1
InChIInChI=1S/2C16H26N2O.C16H25NO2.C15H24N2.C14H22N2.C14H21NO.C14H23NO.C14H21N.C14H20O.2C13H20N2.C13H19NO2S.C13H19NO.C13H21NO.C13H20O2.C12H18N2O.C11H16O2S.C10H14O/c1-14(2)15-4-6-16(7-5-15)18-10-8-17(9-11-18)12-13-19-3;1-14(2)16-5-3-15(4-6-16)13-17-7-8-18-9-11-19-12-10-18;1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;2*1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-11(2)12-3-5-13(6-4-12)14-7-9-17(15,16)10-8-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)13-6-4-12(5-7-13)10-14-8-9-15-3;1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)11-6-4-10(5-7-11)8-14(3,12)13;1-8(2)10-5-3-9(7-11)4-6-10/h4-7,14H,8-13H2,1-3H3;3-6,14,17H,7-13H2,1-2H3;4-7,14H,3,8-13H2,1-2H3;4-7,13H,8-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-6,12H,7-11H2,1-2H3;6-9,12H,5,10-11H2,1-4H3;3-6,11,14-15H,7-10H2,1-2H3;2*3-6,11,14H,7-10H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-7,11,14H,8-10H2,1-3H3;5-8,11H,4,9-10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;4-7,9H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3
InChIKeyGMWFOJKLXZAPCL-UHFFFAOYSA-N
MW3938.95 g/mol
LogP48.18
Rot. Bonds62

About N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine

N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine (PubChem CID 158304126) has the molecular formula C244H375N21O17S2 and a molecular weight of 3938.95 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
PubChem CID158304126
Molecular FormulaC244H375N21O17S2
Molecular Weight3938.95 g/mol
Exact Mass3935.86
IUPAC NameN,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
SMILESCC(C)c1ccc(C2CCNCC2)cc1.CC(C)c1ccc(C2CCOCC2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(CNCCN2CCOCC2)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(CS(C)(=O)=O)cc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.COCCCOc1ccc(C(C)C)cc1.COCCN1CCN(c2ccc(C(C)C)cc2)CC1.COCCNCc1ccc(C(C)C)cc1
InChIInChI=1S/2C16H26N2O.C16H25NO2.C15H24N2.C14H22N2.C14H21NO.C14H23NO.C14H21N.C14H20O.2C13H20N2.C13H19NO2S.C13H19NO.C13H21NO.C13H20O2.C12H18N2O.C11H16O2S.C10H14O/c1-14(2)15-4-6-16(7-5-15)18-10-8-17(9-11-18)12-13-19-3;1-14(2)16-5-3-15(4-6-16)13-17-7-8-18-9-11-19-12-10-18;1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;2*1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-11(2)12-3-5-13(6-4-12)14-7-9-17(15,16)10-8-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)13-6-4-12(5-7-13)10-14-8-9-15-3;1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)11-6-4-10(5-7-11)8-14(3,12)13;1-8(2)10-5-3-9(7-11)4-6-10/h4-7,14H,8-13H2,1-3H3;3-6,14,17H,7-13H2,1-2H3;4-7,14H,3,8-13H2,1-2H3;4-7,13H,8-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-6,12H,7-11H2,1-2H3;6-9,12H,5,10-11H2,1-4H3;3-6,11,14-15H,7-10H2,1-2H3;2*3-6,11,14H,7-10H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-7,11,14H,8-10H2,1-3H3;5-8,11H,4,9-10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;4-7,9H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3
InChIKeyGMWFOJKLXZAPCL-UHFFFAOYSA-N
XLogP48.18
TPSA321.77 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds62
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003938.95
LogP ≤ 548.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine with MolForge

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Related Compounds

1-(Cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine
CID 157078798
2-(4-Tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol
CID 157167250
1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;N-methoxy-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 157317378
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 157333199
5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157349545
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;bis(1-(4-propan-2-ylphenyl)piperazine);4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 157878844
1-(2-Methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 158162891
5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
CID 158326558
1-(Cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;1-[2-(4-methylphenoxy)ethyl]piperidine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperidine
CID 158677072
1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine
CID 159146930
5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 159160813
5-tert-butyl-2-(2-methoxyethoxy)pyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine
CID 159237123

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The IUPAC name of N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine (CID 158304126) is N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine.
What is the SMILES notation for N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The canonical SMILES for N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine is CC(C)c1ccc(C2CCNCC2)cc1.CC(C)c1ccc(C2CCOCC2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(CNCCN2CCOCC2)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(CS(C)(=O)=O)cc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.COCCCOc1ccc(C(C)C)cc1.COCCN1CCN(c2ccc(C(C)C)cc2)CC1.COCCNCc1ccc(C(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The InChIKey is GMWFOJKLXZAPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H26N2O.C16H25NO2.C15H24N2.C14H22N2.C14H21NO.C14H23NO.C14H21N.C14H20O.2C13H20N2.C13H19NO2S.C13H19NO.C13H21NO.C13H20O2.C12H18N2O.C11H16O2S.C10H14O/c1-14(2)15-4-6-16(7-5-15)18-10-8-17(9-11-18)12-13-19-3;1-14(2)16-5-3-15(4-6-16)13-17-7-8-18-9-11-19-12-10-18;1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;2*1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-11(2)12-3-5-13(6-4-12)14-7-9-17(15,16)10-8-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)13-6-4-12(5-7-13)10-14-8-9-15-3;1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)11-6-4-10(5-7-11)8-14(3,12)13;1-8(2)10-5-3-9(7-11)4-6-10/h4-7,14H,8-13H2,1-3H3;3-6,14,17H,7-13H2,1-2H3;4-7,14H,3,8-13H2,1-2H3;4-7,13H,8-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-6,12H,7-11H2,1-2H3;6-9,12H,5,10-11H2,1-4H3;3-6,11,14-15H,7-10H2,1-2H3;2*3-6,11,14H,7-10H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-7,11,14H,8-10H2,1-3H3;5-8,11H,4,9-10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;4-7,9H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine?
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine has a molecular weight of 3938.95 g/mol, XLogP of 48.18, 62 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine is sourced from PubChem (CID 158304126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).