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

C191H315F2N13O20S — CID 158891141

IUPAC1-(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
SMILESCC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CC(O)c1cccnc1.CC(C)CCC(=O)N1CCOCC1.CC(C)CCC(=O)N1CCSCC1.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCCC1.CC(C)CCNC(=O)C1CCN(C)CC1.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(C)(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/C13H25NO.C13H20O3.C13H20O.C12H17FO.C12H24N2O.C12H17NO.C12H18O.C11H15FO.C11H18N2O.C11H17NO.C11H21NO.C11H16O.C10H19NO2.C10H19NOS.2C10H15NO.C9H19NO/c1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12;1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;1-10(2)9-13(4,14)12-7-5-11(3)6-8-12;1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-9(2)8-12(13)11-6-4-10(3)5-7-11;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;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-9(2)7-8-12-11(13)10-5-3-4-6-10;1-9(2)8-11(12)10-6-4-3-5-7-10;2*1-9(2)3-4-10(12)11-5-7-13-8-6-11;1-8(2)6-10(12)9-4-3-5-11-7-9;1-8(2)7-10(12)9-5-3-4-6-11-9;1-7(2)5-6-10-9(11)8(3)4/h10-12H,4-9H2,1-3H3,(H,14,15);5-6,8-9,11,14H,7H2,1-4H3;5-8,10,14H,9H2,1-4H3;4-7,9,14H,8H2,1-3H3;10-11H,4-9H2,1-3H3,(H,13,15);3-7,10H,8-9H2,1-2H3,(H,13,14);4-7,9,12-13H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;4-5,7-8,11,13H,6H2,1-3H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9,11-12H,8H2,1-2H3;2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;3-6,8,10,12H,7H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyJEGDJTBLODDQMX-UHFFFAOYSA-N
MW3183.75 g/mol
LogP41.04
Rot. Bonds58

About 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

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 (PubChem CID 158891141) has the molecular formula C191H315F2N13O20S and a molecular weight of 3183.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158891141
Molecular FormulaC191H315F2N13O20S
Molecular Weight3183.75 g/mol
Exact Mass3181.37
IUPAC Name1-(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
SMILESCC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CC(O)c1cccnc1.CC(C)CCC(=O)N1CCOCC1.CC(C)CCC(=O)N1CCSCC1.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCCC1.CC(C)CCNC(=O)C1CCN(C)CC1.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(C)(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/C13H25NO.C13H20O3.C13H20O.C12H17FO.C12H24N2O.C12H17NO.C12H18O.C11H15FO.C11H18N2O.C11H17NO.C11H21NO.C11H16O.C10H19NO2.C10H19NOS.2C10H15NO.C9H19NO/c1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12;1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;1-10(2)9-13(4,14)12-7-5-11(3)6-8-12;1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-9(2)8-12(13)11-6-4-10(3)5-7-11;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;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-9(2)7-8-12-11(13)10-5-3-4-6-10;1-9(2)8-11(12)10-6-4-3-5-7-10;2*1-9(2)3-4-10(12)11-5-7-13-8-6-11;1-8(2)6-10(12)9-4-3-5-11-7-9;1-8(2)7-10(12)9-5-3-4-6-11-9;1-7(2)5-6-10-9(11)8(3)4/h10-12H,4-9H2,1-3H3,(H,14,15);5-6,8-9,11,14H,7H2,1-4H3;5-8,10,14H,9H2,1-4H3;4-7,9,14H,8H2,1-3H3;10-11H,4-9H2,1-3H3,(H,13,15);3-7,10H,8-9H2,1-2H3,(H,13,14);4-7,9,12-13H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;4-5,7-8,11,13H,6H2,1-3H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9,11-12H,8H2,1-2H3;2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;3-6,8,10,12H,7H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyJEGDJTBLODDQMX-UHFFFAOYSA-N
XLogP41.04
TPSA483.80 Ų
H-Bond Donors15
H-Bond Acceptors27
Rotatable Bonds58
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003183.75
LogP ≤ 541.04
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol
CID 159151525
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
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-(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
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
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;bis(3-methyl-1-phenylbutan-1-ol);3-methyl-1-pyridin-2-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 160857742
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 161332604

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CC(O)c1cccnc1.CC(C)CCC(=O)N1CCOCC1.CC(C)CCC(=O)N1CCSCC1.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCCC1.CC(C)CCNC(=O)C1CCN(C)CC1.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(C)(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1.
What is the InChIKey of 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?
The InChIKey is JEGDJTBLODDQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C13H20O3.C13H20O.C12H17FO.C12H24N2O.C12H17NO.C12H18O.C11H15FO.C11H18N2O.C11H17NO.C11H21NO.C11H16O.C10H19NO2.C10H19NOS.2C10H15NO.C9H19NO/c1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12;1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;1-10(2)9-13(4,14)12-7-5-11(3)6-8-12;1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-9(2)8-12(13)11-6-4-10(3)5-7-11;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;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-9(2)7-8-12-11(13)10-5-3-4-6-10;1-9(2)8-11(12)10-6-4-3-5-7-10;2*1-9(2)3-4-10(12)11-5-7-13-8-6-11;1-8(2)6-10(12)9-4-3-5-11-7-9;1-8(2)7-10(12)9-5-3-4-6-11-9;1-7(2)5-6-10-9(11)8(3)4/h10-12H,4-9H2,1-3H3,(H,14,15);5-6,8-9,11,14H,7H2,1-4H3;5-8,10,14H,9H2,1-4H3;4-7,9,14H,8H2,1-3H3;10-11H,4-9H2,1-3H3,(H,13,15);3-7,10H,8-9H2,1-2H3,(H,13,14);4-7,9,12-13H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;4-5,7-8,11,13H,6H2,1-3H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9,11-12H,8H2,1-2H3;2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;3-6,8,10,12H,7H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 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?
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 has a molecular weight of 3183.75 g/mol, XLogP of 41.04, 58 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158891141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).