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

C166H285F2N11O14 — CID 158179128

IUPAC1-(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
SMILESCC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(C)(O)c1cncnc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CCC1CCCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1(C)C.CC(C)CCN1CCCCC1=O.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCN(C)CC1.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(O)CC(C)C)cc1
InChIInChI=1S/C13H25NO.C13H20O3.C12H17FO.C12H24N2O.C12H17NO.C12H25N.C12H18O.C11H15FO.C11H16O.C10H16N2O.C10H19NO.C10H15NO.C10H20.C9H19NO.C9H19N/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;1-9(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;1-11(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;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)4-10(3,13)9-5-11-7-12-6-9;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;1-9(2)7-8-10-5-3-4-6-10;1-7(2)5-6-10-9(11)8(3)4;1-9(2)5-8-10-6-3-4-7-10/h10-12H,4-9H2,1-3H3,(H,14,15);5-6,8-9,11,14H,7H2,1-4H3;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);11H,5-10H2,1-4H3;4-7,9,12-13H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;5-8,13H,4H2,1-3H3;9H,3-8H2,1-2H3;3-6,8,10,12H,7H2,1-2H3;9-10H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11);9H,3-8H2,1-2H3
InChIKeyFYJAXTSHVAEMLN-UHFFFAOYSA-N
MW2697.16 g/mol
LogP38.32
Rot. Bonds51

About 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

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 (PubChem CID 158179128) has the molecular formula C166H285F2N11O14 and a molecular weight of 2697.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158179128
Molecular FormulaC166H285F2N11O14
Molecular Weight2697.16 g/mol
Exact Mass2695.19
IUPAC Name1-(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
SMILESCC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(C)(O)c1cncnc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CCC1CCCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1(C)C.CC(C)CCN1CCCCC1=O.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCN(C)CC1.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(O)CC(C)C)cc1
InChIInChI=1S/C13H25NO.C13H20O3.C12H17FO.C12H24N2O.C12H17NO.C12H25N.C12H18O.C11H15FO.C11H16O.C10H16N2O.C10H19NO.C10H15NO.C10H20.C9H19NO.C9H19N/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;1-9(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;1-11(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;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)4-10(3,13)9-5-11-7-12-6-9;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;1-9(2)7-8-10-5-3-4-6-10;1-7(2)5-6-10-9(11)8(3)4;1-9(2)5-8-10-6-3-4-7-10/h10-12H,4-9H2,1-3H3,(H,14,15);5-6,8-9,11,14H,7H2,1-4H3;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);11H,5-10H2,1-4H3;4-7,9,12-13H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;5-8,13H,4H2,1-3H3;9H,3-8H2,1-2H3;3-6,8,10,12H,7H2,1-2H3;9-10H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11);9H,3-8H2,1-2H3
InChIKeyFYJAXTSHVAEMLN-UHFFFAOYSA-N
XLogP38.32
TPSA345.17 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds51
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002697.16
LogP ≤ 538.32
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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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;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
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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(C)(O)c1cncnc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CCC1CCCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1(C)C.CC(C)CCN1CCCCC1=O.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCN(C)CC1.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(O)CC(C)C)cc1.
What is the InChIKey of 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?
The InChIKey is FYJAXTSHVAEMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C13H20O3.C12H17FO.C12H24N2O.C12H17NO.C12H25N.C12H18O.C11H15FO.C11H16O.C10H16N2O.C10H19NO.C10H15NO.C10H20.C9H19NO.C9H19N/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;1-9(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;1-11(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;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)4-10(3,13)9-5-11-7-12-6-9;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;1-9(2)7-8-10-5-3-4-6-10;1-7(2)5-6-10-9(11)8(3)4;1-9(2)5-8-10-6-3-4-7-10/h10-12H,4-9H2,1-3H3,(H,14,15);5-6,8-9,11,14H,7H2,1-4H3;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);11H,5-10H2,1-4H3;4-7,9,12-13H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;5-8,13H,4H2,1-3H3;9H,3-8H2,1-2H3;3-6,8,10,12H,7H2,1-2H3;9-10H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11);9H,3-8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2697.16 g/mol, XLogP of 38.32, 51 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158179128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).