1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine

C282H431Cl4F9N14O7 — CID 159804476

IUPAC1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
SMILESCC(C)CC(C)(O)c1ccc(Cl)cc1.CC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(O)c1ccc(Cl)cc1.CC(C)CC(O)c1cccnc1.CC(C)CC1(c2ccc(F)cc2)CC1.CC(C)CCC1CCC(C)(C)C1.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCc1ccc(C(F)(F)F)nc1.CC(C)CCc1ccc(Cl)cc1.CC(C)CCc1ccc(F)cc1.CC(C)CCc1ccccc1.CC(C)CCc1cccnc1.CC(C)CCc1cnc(C(F)(F)F)nc1.CC(C)CCc1cncc(Cl)c1.COc1ccc(CCC(C)C)cc1.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(C(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ccc(CC(C)(C)C(C)C)cn1.Cc1ccc(CC(C)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cn1.Cc1cncc(CCC(C)C)c1.Cc1ncc(CCC(C)C)cn1
InChIInChI=1S/C13H17F.2C13H21N.C12H17ClO.C12H17FO.C12H19N.2C12H18O.C12H18.C12H24.C11H15ClO.C11H15Cl.C11H14F3N.C11H15F.C11H17NO.2C11H17N.C11H22.C11H16.C10H14ClN.C10H13F3N2.C10H16N2.C10H15NO.C10H15N.C10H20/c1-10(2)9-13(7-8-13)11-3-5-12(14)6-4-11;1-10(2)13(4,5)8-12-7-6-11(3)14-9-12;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;2*1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-9(2)10(3)7-12-6-5-11(4)13-8-12;1-9(2)8-12(13)11-6-4-10(3)5-7-11;1-10(2)4-5-11-6-8-12(13-3)9-7-11;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)5-6-11-7-8-12(3,4)9-11;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)3-4-9-5-6-10(15-7-9)11(12,13)14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-9(2)4-6-11-7-5-10(3)12-8-11;1-9(2)4-5-11-6-10(3)7-12-8-11;2*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)3-4-9-5-10(11)7-12-6-9;1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13;1-8(2)4-5-10-6-11-9(3)12-7-10;1-8(2)6-10(12)9-4-3-5-11-7-9;1-9(2)5-6-10-4-3-7-11-8-10;1-9(2)7-8-10-5-3-4-6-10/h3-6,10H,7-9H2,1-2H3;2*6-7,9-10H,8H2,1-5H3;2*4-7,9,14H,8H2,1-3H3;5-6,8-10H,7H2,1-4H3;4-7,9,12-13H,8H2,1-3H3;6-10H,4-5H2,1-3H3;5-6,8-10H,4,7H2,1-3H3;10-11H,5-9H2,1-4H3;3-6,8,11,13H,7H2,1-2H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;4-5,7-8,11,13H,6H2,1-3H3;5,7-9H,4,6H2,1-3H3;6-9H,4-5H2,1-3H3;10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;5-8H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;6-8H,4-5H2,1-3H3;3-5,7-8,10,12H,6H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyNKFFTWKEFYILEF-UHFFFAOYSA-N
MW4442.43 g/mol
LogP82.70
Rot. Bonds76

About 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine

1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine (PubChem CID 159804476) has the molecular formula C282H431Cl4F9N14O7 and a molecular weight of 4442.43 g/mol. Its IUPAC name is 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine.

Molecular Properties

Compound Name1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
PubChem CID159804476
Molecular FormulaC282H431Cl4F9N14O7
Molecular Weight4442.43 g/mol
Exact Mass4437.24
IUPAC Name1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
SMILESCC(C)CC(C)(O)c1ccc(Cl)cc1.CC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(O)c1ccc(Cl)cc1.CC(C)CC(O)c1cccnc1.CC(C)CC1(c2ccc(F)cc2)CC1.CC(C)CCC1CCC(C)(C)C1.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCc1ccc(C(F)(F)F)nc1.CC(C)CCc1ccc(Cl)cc1.CC(C)CCc1ccc(F)cc1.CC(C)CCc1ccccc1.CC(C)CCc1cccnc1.CC(C)CCc1cnc(C(F)(F)F)nc1.CC(C)CCc1cncc(Cl)c1.COc1ccc(CCC(C)C)cc1.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(C(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ccc(CC(C)(C)C(C)C)cn1.Cc1ccc(CC(C)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cn1.Cc1cncc(CCC(C)C)c1.Cc1ncc(CCC(C)C)cn1
InChIInChI=1S/C13H17F.2C13H21N.C12H17ClO.C12H17FO.C12H19N.2C12H18O.C12H18.C12H24.C11H15ClO.C11H15Cl.C11H14F3N.C11H15F.C11H17NO.2C11H17N.C11H22.C11H16.C10H14ClN.C10H13F3N2.C10H16N2.C10H15NO.C10H15N.C10H20/c1-10(2)9-13(7-8-13)11-3-5-12(14)6-4-11;1-10(2)13(4,5)8-12-7-6-11(3)14-9-12;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;2*1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-9(2)10(3)7-12-6-5-11(4)13-8-12;1-9(2)8-12(13)11-6-4-10(3)5-7-11;1-10(2)4-5-11-6-8-12(13-3)9-7-11;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)5-6-11-7-8-12(3,4)9-11;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)3-4-9-5-6-10(15-7-9)11(12,13)14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-9(2)4-6-11-7-5-10(3)12-8-11;1-9(2)4-5-11-6-10(3)7-12-8-11;2*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)3-4-9-5-10(11)7-12-6-9;1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13;1-8(2)4-5-10-6-11-9(3)12-7-10;1-8(2)6-10(12)9-4-3-5-11-7-9;1-9(2)5-6-10-4-3-7-11-8-10;1-9(2)7-8-10-5-3-4-6-10/h3-6,10H,7-9H2,1-2H3;2*6-7,9-10H,8H2,1-5H3;2*4-7,9,14H,8H2,1-3H3;5-6,8-10H,7H2,1-4H3;4-7,9,12-13H,8H2,1-3H3;6-10H,4-5H2,1-3H3;5-6,8-10H,4,7H2,1-3H3;10-11H,5-9H2,1-4H3;3-6,8,11,13H,7H2,1-2H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;4-5,7-8,11,13H,6H2,1-3H3;5,7-9H,4,6H2,1-3H3;6-9H,4-5H2,1-3H3;10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;5-8H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;6-8H,4-5H2,1-3H3;3-5,7-8,10,12H,6H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyNKFFTWKEFYILEF-UHFFFAOYSA-N
XLogP82.70
TPSA311.07 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds76
Heavy Atoms316
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004442.43
LogP ≤ 582.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?
The IUPAC name of 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine (CID 159804476) is 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine.
What is the SMILES notation for 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?
The canonical SMILES for 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine is CC(C)CC(C)(O)c1ccc(Cl)cc1.CC(C)CC(C)(O)c1ccc(F)cc1.CC(C)CC(O)c1ccc(Cl)cc1.CC(C)CC(O)c1cccnc1.CC(C)CC1(c2ccc(F)cc2)CC1.CC(C)CCC1CCC(C)(C)C1.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCc1ccc(C(F)(F)F)nc1.CC(C)CCc1ccc(Cl)cc1.CC(C)CCc1ccc(F)cc1.CC(C)CCc1ccccc1.CC(C)CCc1cccnc1.CC(C)CCc1cnc(C(F)(F)F)nc1.CC(C)CCc1cncc(Cl)c1.COc1ccc(CCC(C)C)cc1.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(C(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ccc(CC(C)(C)C(C)C)cn1.Cc1ccc(CC(C)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cn1.Cc1cncc(CCC(C)C)c1.Cc1ncc(CCC(C)C)cn1.
What is the InChIKey of 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?
The InChIKey is NKFFTWKEFYILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F.2C13H21N.C12H17ClO.C12H17FO.C12H19N.2C12H18O.C12H18.C12H24.C11H15ClO.C11H15Cl.C11H14F3N.C11H15F.C11H17NO.2C11H17N.C11H22.C11H16.C10H14ClN.C10H13F3N2.C10H16N2.C10H15NO.C10H15N.C10H20/c1-10(2)9-13(7-8-13)11-3-5-12(14)6-4-11;1-10(2)13(4,5)8-12-7-6-11(3)14-9-12;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;2*1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-9(2)10(3)7-12-6-5-11(4)13-8-12;1-9(2)8-12(13)11-6-4-10(3)5-7-11;1-10(2)4-5-11-6-8-12(13-3)9-7-11;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)5-6-11-7-8-12(3,4)9-11;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)3-4-9-5-6-10(15-7-9)11(12,13)14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-9(2)4-6-11-7-5-10(3)12-8-11;1-9(2)4-5-11-6-10(3)7-12-8-11;2*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)3-4-9-5-10(11)7-12-6-9;1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13;1-8(2)4-5-10-6-11-9(3)12-7-10;1-8(2)6-10(12)9-4-3-5-11-7-9;1-9(2)5-6-10-4-3-7-11-8-10;1-9(2)7-8-10-5-3-4-6-10/h3-6,10H,7-9H2,1-2H3;2*6-7,9-10H,8H2,1-5H3;2*4-7,9,14H,8H2,1-3H3;5-6,8-10H,7H2,1-4H3;4-7,9,12-13H,8H2,1-3H3;6-10H,4-5H2,1-3H3;5-6,8-10H,4,7H2,1-3H3;10-11H,5-9H2,1-4H3;3-6,8,11,13H,7H2,1-2H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;4-5,7-8,11,13H,6H2,1-3H3;5,7-9H,4,6H2,1-3H3;6-9H,4-5H2,1-3H3;10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;5-8H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;6-8H,4-5H2,1-3H3;3-5,7-8,10,12H,6H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;9-10H,3-8H2,1-2H3.
What are the key properties of 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?
1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine has a molecular weight of 4442.43 g/mol, XLogP of 82.70, 76 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;5-(2,3-dimethylbutyl)-2-methylpyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;2-(4-fluorophenyl)-4-methylpentan-2-ol;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(4-methylphenyl)butan-1-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;2-methyl-5-(2,2,3-trimethylbutyl)pyridine is sourced from PubChem (CID 159804476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).