2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one

C256H380Cl4F8N14O15 — CID 158600591

IUPAC2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESC.C=C1C=CC(C(C)C)=CC1.CC(=O)N1CCCC(C(C)C)C1.CC(=O)Nc1cc(C(C)C)ccc1C.CC(C)C(=O)N1CCCC(C(C)C)C1.CC(C)C1CCCN(C(=O)CC(F)(F)F)C1.CC(C)c1ccccc1F.CC(C)c1ccnc(Cl)c1.CCC(=O)N1CCCC(C(C)C)C1.CCOc1cccc(C(C)C)c1.COc1cc(C(C)C)cc(OC)c1C.COc1cc(C(C)C)ccc1C.COc1cc(C)cc(C(C)C)c1.COc1ccc(C(C)C)cn1.COc1cccc(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1cc(C(C)C)cc(=O)[nH]1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)c(Cl)n1.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1O.Cc1ccc(CC(C)C)cc1Cl.Cc1ccc(CC(C)C)cc1F.Cc1cnc(Cl)c(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C12H17NO.C12H23NO.C12H18O2.C11H15Cl.C11H18F3NO.C11H13F3.C11H15F.C11H21NO.3C11H16O.C10H19NO.2C10H15N.2C10H14O.C10H14.2C9H12ClN.C9H11F.3C9H13NO.C9H13N.C8H10ClN.CH4/c1-8(2)11-6-5-9(3)12(7-11)13-10(4)14;1-9(2)11-6-5-7-13(8-11)12(14)10(3)4;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-8(2)6-10-5-4-9(3)11(12)7-10;1-8(2)9-4-3-5-15(7-9)10(16)6-11(12,13)14;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-8(2)6-10-5-4-9(3)11(12)7-10;1-4-11(13)12-7-5-6-10(8-12)9(2)3;1-8(2)10-5-9(3)6-11(7-10)12-4;1-8(2)10-6-5-9(3)11(7-10)12-4;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)10-6-8(3)5-9(4)11-10;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-7(3)5-11-9(8)10;1-6(2)8-5-4-7(3)11-9(8)10;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-9(11-3)6-10-5-8;1-6(2)8-4-7(3)10-9(11)5-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-4-8(3)5-10-6-9;1-6(2)7-3-4-10-8(9)5-7;/h5-8H,1-4H3,(H,13,14);9-11H,5-8H2,1-4H3;6-8H,1-5H3;4-5,7-8H,6H2,1-3H3;8-9H,3-7H2,1-2H3;4-7H,1-3H3;4-5,7-8H,6H2,1-3H3;9-10H,4-8H2,1-3H3;2*5-8H,1-4H3;5-9H,4H2,1-3H3;8,10H,4-7H2,1-3H3;2*5-7H,1-4H3;4-7,11H,1-3H3;4-8H,1-3H3;4,6-8H,3,5H2,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;1H4
InChIKeyHVOUHUWPSWTCHV-UHFFFAOYSA-N
MW4187.73 g/mol
LogP72.45
Rot. Bonds40

About 2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one

2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 158600591) has the molecular formula C256H380Cl4F8N14O15 and a molecular weight of 4187.73 g/mol. Its IUPAC name is 2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID158600591
Molecular FormulaC256H380Cl4F8N14O15
Molecular Weight4187.73 g/mol
Exact Mass4182.80
IUPAC Name2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESC.C=C1C=CC(C(C)C)=CC1.CC(=O)N1CCCC(C(C)C)C1.CC(=O)Nc1cc(C(C)C)ccc1C.CC(C)C(=O)N1CCCC(C(C)C)C1.CC(C)C1CCCN(C(=O)CC(F)(F)F)C1.CC(C)c1ccccc1F.CC(C)c1ccnc(Cl)c1.CCC(=O)N1CCCC(C(C)C)C1.CCOc1cccc(C(C)C)c1.COc1cc(C(C)C)cc(OC)c1C.COc1cc(C(C)C)ccc1C.COc1cc(C)cc(C(C)C)c1.COc1ccc(C(C)C)cn1.COc1cccc(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1cc(C(C)C)cc(=O)[nH]1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)c(Cl)n1.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1O.Cc1ccc(CC(C)C)cc1Cl.Cc1ccc(CC(C)C)cc1F.Cc1cnc(Cl)c(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C12H17NO.C12H23NO.C12H18O2.C11H15Cl.C11H18F3NO.C11H13F3.C11H15F.C11H21NO.3C11H16O.C10H19NO.2C10H15N.2C10H14O.C10H14.2C9H12ClN.C9H11F.3C9H13NO.C9H13N.C8H10ClN.CH4/c1-8(2)11-6-5-9(3)12(7-11)13-10(4)14;1-9(2)11-6-5-7-13(8-11)12(14)10(3)4;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-8(2)6-10-5-4-9(3)11(12)7-10;1-8(2)9-4-3-5-15(7-9)10(16)6-11(12,13)14;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-8(2)6-10-5-4-9(3)11(12)7-10;1-4-11(13)12-7-5-6-10(8-12)9(2)3;1-8(2)10-5-9(3)6-11(7-10)12-4;1-8(2)10-6-5-9(3)11(7-10)12-4;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)10-6-8(3)5-9(4)11-10;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-7(3)5-11-9(8)10;1-6(2)8-5-4-7(3)11-9(8)10;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-9(11-3)6-10-5-8;1-6(2)8-4-7(3)10-9(11)5-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-4-8(3)5-10-6-9;1-6(2)7-3-4-10-8(9)5-7;/h5-8H,1-4H3,(H,13,14);9-11H,5-8H2,1-4H3;6-8H,1-5H3;4-5,7-8H,6H2,1-3H3;8-9H,3-7H2,1-2H3;4-7H,1-3H3;4-5,7-8H,6H2,1-3H3;9-10H,4-8H2,1-3H3;2*5-8H,1-4H3;5-9H,4H2,1-3H3;8,10H,4-7H2,1-3H3;2*5-7H,1-4H3;4-7,11H,1-3H3;4-8H,1-3H3;4,6-8H,3,5H2,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;1H4
InChIKeyHVOUHUWPSWTCHV-UHFFFAOYSA-N
XLogP72.45
TPSA340.39 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds40
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004187.73
LogP ≤ 572.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one (CID 158600591) is 2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one is C.C=C1C=CC(C(C)C)=CC1.CC(=O)N1CCCC(C(C)C)C1.CC(=O)Nc1cc(C(C)C)ccc1C.CC(C)C(=O)N1CCCC(C(C)C)C1.CC(C)C1CCCN(C(=O)CC(F)(F)F)C1.CC(C)c1ccccc1F.CC(C)c1ccnc(Cl)c1.CCC(=O)N1CCCC(C(C)C)C1.CCOc1cccc(C(C)C)c1.COc1cc(C(C)C)cc(OC)c1C.COc1cc(C(C)C)ccc1C.COc1cc(C)cc(C(C)C)c1.COc1ccc(C(C)C)cn1.COc1cccc(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1cc(C(C)C)cc(=O)[nH]1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)c(Cl)n1.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1O.Cc1ccc(CC(C)C)cc1Cl.Cc1ccc(CC(C)C)cc1F.Cc1cnc(Cl)c(C(C)C)c1.Cc1cncc(C(C)C)c1.
What is the InChIKey of 2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is HVOUHUWPSWTCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C12H23NO.C12H18O2.C11H15Cl.C11H18F3NO.C11H13F3.C11H15F.C11H21NO.3C11H16O.C10H19NO.2C10H15N.2C10H14O.C10H14.2C9H12ClN.C9H11F.3C9H13NO.C9H13N.C8H10ClN.CH4/c1-8(2)11-6-5-9(3)12(7-11)13-10(4)14;1-9(2)11-6-5-7-13(8-11)12(14)10(3)4;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-8(2)6-10-5-4-9(3)11(12)7-10;1-8(2)9-4-3-5-15(7-9)10(16)6-11(12,13)14;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-8(2)6-10-5-4-9(3)11(12)7-10;1-4-11(13)12-7-5-6-10(8-12)9(2)3;1-8(2)10-5-9(3)6-11(7-10)12-4;1-8(2)10-6-5-9(3)11(7-10)12-4;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)10-6-8(3)5-9(4)11-10;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-7(3)5-11-9(8)10;1-6(2)8-5-4-7(3)11-9(8)10;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-9(11-3)6-10-5-8;1-6(2)8-4-7(3)10-9(11)5-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-4-8(3)5-10-6-9;1-6(2)7-3-4-10-8(9)5-7;/h5-8H,1-4H3,(H,13,14);9-11H,5-8H2,1-4H3;6-8H,1-5H3;4-5,7-8H,6H2,1-3H3;8-9H,3-7H2,1-2H3;4-7H,1-3H3;4-5,7-8H,6H2,1-3H3;9-10H,4-8H2,1-3H3;2*5-8H,1-4H3;5-9H,4H2,1-3H3;8,10H,4-7H2,1-3H3;2*5-7H,1-4H3;4-7,11H,1-3H3;4-8H,1-3H3;4,6-8H,3,5H2,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;1H4.
What are the key properties of 2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 4187.73 g/mol, XLogP of 72.45, 40 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 158600591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).