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

C171H282ClF2N11O16 — CID 160607304

IUPAC1-(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
SMILESCC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(O)c1ccc(Cl)cc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CCN1CCCCC1(C)C.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(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/C13H25NO.C13H20O3.C12H17FO.C12H24N2O.C12H17NO.C12H25N.C12H18O.C11H15ClO.C11H15FO.C11H18N2O.C11H17NO.C11H21NO.C11H16O.C10H15NO.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;1-9(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)9-3-5-10(12)6-4-9;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;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;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;2*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;3-6,8,10,12H,7H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyRFAUNAVYZNUNHM-UHFFFAOYSA-N
MW2821.65 g/mol
LogP39.07
Rot. Bonds52

About 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

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 (PubChem CID 160607304) has the molecular formula C171H282ClF2N11O16 and a molecular weight of 2821.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID160607304
Molecular FormulaC171H282ClF2N11O16
Molecular Weight2821.65 g/mol
Exact Mass2819.12
IUPAC Name1-(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
SMILESCC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(O)c1ccc(Cl)cc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CCN1CCCCC1(C)C.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(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/C13H25NO.C13H20O3.C12H17FO.C12H24N2O.C12H17NO.C12H25N.C12H18O.C11H15ClO.C11H15FO.C11H18N2O.C11H17NO.C11H21NO.C11H16O.C10H15NO.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;1-9(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)9-3-5-10(12)6-4-9;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;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;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;2*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;3-6,8,10,12H,7H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyRFAUNAVYZNUNHM-UHFFFAOYSA-N
XLogP39.07
TPSA404.07 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds52
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002821.65
LogP ≤ 539.07
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Analyze 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 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
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,3-dimethyl-5-propan-2-ylbenzamide;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-5-propan-2-ylpyridine;methane;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;tris(2-methyl-4-propan-2-ylaniline);1-methyl-3-propan-2-ylbenzene;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157770357
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-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-[Butyl(2-methoxyethyl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[4-(1,5-dimethoxypentan-3-yl)-6-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 159539067
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(O)c1ccc(Cl)cc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CCN1CCCCC1(C)C.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(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-(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?
The InChIKey is RFAUNAVYZNUNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C13H20O3.C12H17FO.C12H24N2O.C12H17NO.C12H25N.C12H18O.C11H15ClO.C11H15FO.C11H18N2O.C11H17NO.C11H21NO.C11H16O.C10H15NO.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;1-9(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)9-3-5-10(12)6-4-9;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;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;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;2*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;3-6,8,10,12H,7H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 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?
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 has a molecular weight of 2821.65 g/mol, XLogP of 39.07, 52 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160607304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).