1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol

C199H302F8N12O19 — CID 159507738

IUPAC1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol
SMILESCC(C)CC(C)(F)c1ccncc1.CC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(C)(O)c1ccncn1.CC(C)CC(CC(=O)CN)c1ccc(F)cc1.CC(C)CC(CC(=O)O)c1ccc(F)cc1.CC(C)CC(O)(c1ccncc1)C(C)C.CC(C)CC(O)c1ccc(C(F)(F)F)nc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CC1(c2ccccc2)OCCO1.CC(C)CCN1CCCCC1(C)C.CC(C)CCN1CCCCC1=O.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(O)CC(C)C)cc1.Cc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/C14H20FNO.C13H17FO2.C13H21NO.C13H20O3.C13H18O2.C12H17FO.C12H17NO.C12H25N.C12H18O.C11H14F3NO.C11H16FN.C11H15FO.C11H18N2O.C11H16O.C10H16N2O.C10H19NO.C10H15NO/c1-10(2)7-12(8-14(17)9-16)11-3-5-13(15)6-4-11;1-9(2)7-11(8-13(15)16)10-3-5-12(14)6-4-10;1-10(2)9-13(15,11(3)4)12-5-7-14-8-6-12;1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;1-11(2)10-13(14-8-9-15-13)12-6-4-3-5-7-12;1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-11(2)7-10-13-9-6-5-8-12(13,3)4;1-9(2)8-12(13)11-6-4-10(3)5-7-11;1-7(2)5-9(16)8-3-4-10(15-6-8)11(12,13)14;1-9(2)8-11(3,12)10-4-6-13-7-5-10;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-8(2)5-11(4,14)10-6-12-9(3)13-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)6-10(3,13)9-4-5-11-7-12-9;1-9(2)6-8-11-7-4-3-5-10(11)12;1-8(2)7-10(12)9-5-3-4-6-11-9/h3-6,10,12H,7-9,16H2,1-2H3;3-6,9,11H,7-8H2,1-2H3,(H,15,16);5-8,10-11,15H,9H2,1-4H3;5-6,8-9,11,14H,7H2,1-4H3;3-7,11H,8-10H2,1-2H3;4-7,9,14H,8H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);11H,5-10H2,1-4H3;4-7,9,12-13H,8H2,1-3H3;3-4,6-7,9,16H,5H2,1-2H3;4-7,9H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;3-7,9,11-12H,8H2,1-2H3;4-5,7-8,13H,6H2,1-3H3;9H,3-8H2,1-2H3;3-6,8,10,12H,7H2,1-2H3
InChIKeyMAFBGTQQRDORDT-UHFFFAOYSA-N
MW3318.65 g/mol
LogP47.04
Rot. Bonds60

About 1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol

1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol (PubChem CID 159507738) has the molecular formula C199H302F8N12O19 and a molecular weight of 3318.65 g/mol. Its IUPAC name is 1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol
PubChem CID159507738
Molecular FormulaC199H302F8N12O19
Molecular Weight3318.65 g/mol
Exact Mass3316.29
IUPAC Name1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol
SMILESCC(C)CC(C)(F)c1ccncc1.CC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(C)(O)c1ccncn1.CC(C)CC(CC(=O)CN)c1ccc(F)cc1.CC(C)CC(CC(=O)O)c1ccc(F)cc1.CC(C)CC(O)(c1ccncc1)C(C)C.CC(C)CC(O)c1ccc(C(F)(F)F)nc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CC1(c2ccccc2)OCCO1.CC(C)CCN1CCCCC1(C)C.CC(C)CCN1CCCCC1=O.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(O)CC(C)C)cc1.Cc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/C14H20FNO.C13H17FO2.C13H21NO.C13H20O3.C13H18O2.C12H17FO.C12H17NO.C12H25N.C12H18O.C11H14F3NO.C11H16FN.C11H15FO.C11H18N2O.C11H16O.C10H16N2O.C10H19NO.C10H15NO/c1-10(2)7-12(8-14(17)9-16)11-3-5-13(15)6-4-11;1-9(2)7-11(8-13(15)16)10-3-5-12(14)6-4-10;1-10(2)9-13(15,11(3)4)12-5-7-14-8-6-12;1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;1-11(2)10-13(14-8-9-15-13)12-6-4-3-5-7-12;1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-11(2)7-10-13-9-6-5-8-12(13,3)4;1-9(2)8-12(13)11-6-4-10(3)5-7-11;1-7(2)5-9(16)8-3-4-10(15-6-8)11(12,13)14;1-9(2)8-11(3,12)10-4-6-13-7-5-10;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-8(2)5-11(4,14)10-6-12-9(3)13-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)6-10(3,13)9-4-5-11-7-12-9;1-9(2)6-8-11-7-4-3-5-10(11)12;1-8(2)7-10(12)9-5-3-4-6-11-9/h3-6,10,12H,7-9,16H2,1-2H3;3-6,9,11H,7-8H2,1-2H3,(H,15,16);5-8,10-11,15H,9H2,1-4H3;5-6,8-9,11,14H,7H2,1-4H3;3-7,11H,8-10H2,1-2H3;4-7,9,14H,8H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);11H,5-10H2,1-4H3;4-7,9,12-13H,8H2,1-3H3;3-4,6-7,9,16H,5H2,1-2H3;4-7,9H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;3-7,9,11-12H,8H2,1-2H3;4-5,7-8,13H,6H2,1-3H3;9H,3-8H2,1-2H3;3-6,8,10,12H,7H2,1-2H3
InChIKeyMAFBGTQQRDORDT-UHFFFAOYSA-N
XLogP47.04
TPSA475.38 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds60
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003318.65
LogP ≤ 547.04
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Analyze 1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol with MolForge

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Related Compounds

4-[2-[[2-[5-(1-Ethoxyethyl)-2-methylphenyl]-5-methylphenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[2-(3-ethoxy-6-propan-2-yl-2-pyridinyl)-5-methylphenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[2-[5-(hydroxymethyl)-2-methylphenyl]-5-methylphenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[5-methyl-2-[2-methyl-5-(methylcarbamoyl)phenyl]phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[5-methyl-2-[2-methyl-5-(2-oxopropyl)phenyl]phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 123579583
1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 157477202
4-[2-[2-(1,1-Difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[3-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[4-[3-(1,1-difluoroethyl)phenyl]pyrimidin-2-yl]benzoic acid;3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]benzoic acid;4-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]benzoic acid;3-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]benzoic acid;4-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]benzoic acid
CID 158107316
1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 158120476
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;1-(2-fluorophenyl)-3-methylbutan-1-ol;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-5-ylpentan-2-ol
CID 158179128
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;1-(2-fluorophenyl)-3-methylbutan-1-ol;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;1-(3-methylbutyl)piperidin-2-one;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol
CID 158511922
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2-fluorophenyl)-3-methylbutan-1-ol;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 158891141
1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 159246538
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2-fluorophenyl)-3-methylbutan-1-ol;2-(4-fluorophenyl)-4-methylpentan-2-ol;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;bis(3-methyl-1-(4-methylphenyl)butan-1-ol);4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol
CID 160301302
1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;N-(3,3-dimethylbutyl)-1-methylpiperidine-4-carboxamide;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4,4-dimethylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 160339843
tert-butyl 2-aminoacetate;tert-butyl 2-[(3,4-dimethoxybenzoyl)amino]acetate;3,4-dimethoxybenzoic acid;2-[(3,4-dimethoxybenzoyl)amino]acetic acid;3,4-dimethoxy-N-[2-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide;methane;4-[5-(2-piperidin-1-ylphenyl)pyrimidin-2-yl]morpholine
CID 160572366
1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;1-(2-fluorophenyl)-3-methylbutan-1-ol;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol
CID 160607304

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The IUPAC name of 1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol (CID 159507738) is 1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol.
What is the SMILES notation for 1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The canonical SMILES for 1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol is CC(C)CC(C)(F)c1ccncc1.CC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(C)(O)c1ccncn1.CC(C)CC(CC(=O)CN)c1ccc(F)cc1.CC(C)CC(CC(=O)O)c1ccc(F)cc1.CC(C)CC(O)(c1ccncc1)C(C)C.CC(C)CC(O)c1ccc(C(F)(F)F)nc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CC1(c2ccccc2)OCCO1.CC(C)CCN1CCCCC1(C)C.CC(C)CCN1CCCCC1=O.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(O)CC(C)C)cc1.Cc1ncc(C(C)(O)CC(C)C)cn1.
What is the InChIKey of 1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The InChIKey is MAFBGTQQRDORDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO.C13H17FO2.C13H21NO.C13H20O3.C13H18O2.C12H17FO.C12H17NO.C12H25N.C12H18O.C11H14F3NO.C11H16FN.C11H15FO.C11H18N2O.C11H16O.C10H16N2O.C10H19NO.C10H15NO/c1-10(2)7-12(8-14(17)9-16)11-3-5-13(15)6-4-11;1-9(2)7-11(8-13(15)16)10-3-5-12(14)6-4-10;1-10(2)9-13(15,11(3)4)12-5-7-14-8-6-12;1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;1-11(2)10-13(14-8-9-15-13)12-6-4-3-5-7-12;1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-11(2)7-10-13-9-6-5-8-12(13,3)4;1-9(2)8-12(13)11-6-4-10(3)5-7-11;1-7(2)5-9(16)8-3-4-10(15-6-8)11(12,13)14;1-9(2)8-11(3,12)10-4-6-13-7-5-10;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-8(2)5-11(4,14)10-6-12-9(3)13-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)6-10(3,13)9-4-5-11-7-12-9;1-9(2)6-8-11-7-4-3-5-10(11)12;1-8(2)7-10(12)9-5-3-4-6-11-9/h3-6,10,12H,7-9,16H2,1-2H3;3-6,9,11H,7-8H2,1-2H3,(H,15,16);5-8,10-11,15H,9H2,1-4H3;5-6,8-9,11,14H,7H2,1-4H3;3-7,11H,8-10H2,1-2H3;4-7,9,14H,8H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);11H,5-10H2,1-4H3;4-7,9,12-13H,8H2,1-3H3;3-4,6-7,9,16H,5H2,1-2H3;4-7,9H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;3-7,9,11-12H,8H2,1-2H3;4-5,7-8,13H,6H2,1-3H3;9H,3-8H2,1-2H3;3-6,8,10,12H,7H2,1-2H3.
What are the key properties of 1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol has a molecular weight of 3318.65 g/mol, XLogP of 47.04, 60 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-fluorophenyl)-6-methylheptan-2-one;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;2,2-dimethyl-1-(3-methylbutyl)piperidine;2,5-dimethyl-3-pyridin-4-ylhexan-3-ol;4-(2-fluoro-4-methylpentan-2-yl)pyridine;1-(2-fluorophenyl)-3-methylbutan-1-ol;3-(4-fluorophenyl)-5-methylhexanoic acid;2-(4-fluorophenyl)-4-methylpentan-2-ol;N-(3-methylbutyl)benzamide;1-(3-methylbutyl)piperidin-2-one;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;3-methyl-1-phenylbutan-1-ol;2-(2-methylpropyl)-2-phenyl-1,3-dioxolane;3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-2-pyrimidin-4-ylpentan-2-ol;3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol is sourced from PubChem (CID 159507738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).