1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine

C221H289Cl3F11N7O5 — CID 160710487

IUPAC1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1c(F)cccc1Cl.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(Cl)c1F.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1cncc(C(F)(F)F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C(C)C)cc1F.Cc1ccccc1C(C)C
InChIInChI=1S/C15H16O.C15H22.C15H16.C14H21N.C14H20.2C13H19NO.2C13H19N.C10H13Cl.C10H10F2O2.C10H13F.3C10H14.2C9H10ClF.2C9H10F3N/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-7(2)9-5-4-8(3)10(11)6-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-6(2)7-3-4-13-8(5-7)9(10,11)12/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3*4-8H,1-3H3;2*3-6H,1-2H3;2*3-6H,1-2H3
InChIKeyRRUGIHVGWNWBDO-UHFFFAOYSA-N
MW3439.12 g/mol
LogP67.49
Rot. Bonds29

About 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine

1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 160710487) has the molecular formula C221H289Cl3F11N7O5 and a molecular weight of 3439.12 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID160710487
Molecular FormulaC221H289Cl3F11N7O5
Molecular Weight3439.12 g/mol
Exact Mass3435.15
IUPAC Name1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1c(F)cccc1Cl.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(Cl)c1F.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1cncc(C(F)(F)F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C(C)C)cc1F.Cc1ccccc1C(C)C
InChIInChI=1S/C15H16O.C15H22.C15H16.C14H21N.C14H20.2C13H19NO.2C13H19N.C10H13Cl.C10H10F2O2.C10H13F.3C10H14.2C9H10ClF.2C9H10F3N/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-7(2)9-5-4-8(3)10(11)6-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-6(2)7-3-4-13-8(5-7)9(10,11)12/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3*4-8H,1-3H3;2*3-6H,1-2H3;2*3-6H,1-2H3
InChIKeyRRUGIHVGWNWBDO-UHFFFAOYSA-N
XLogP67.49
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003439.12
LogP ≤ 567.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-Chloro-1-methyl-4-propan-2-ylbenzene;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine
CID 158277754
1-Butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-4-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 158635668
2-Chloro-1-fluoro-4-propan-2-ylbenzene;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol
CID 158650958
1-Tert-butyl-4-(1-propan-2-ylcyclobutyl)benzene;1-chloro-3-[(1-propan-2-ylcyclopentyl)methyl]benzene;1-(2,2-difluoro-1-propan-2-ylcyclopropyl)-3-methylbenzene;1-fluoro-2-(1-propan-2-ylcyclopropyl)benzene;1-methoxy-3-(1-propan-2-ylcyclopropyl)benzene;3-phenyl-3-propan-2-ylcyclobutan-1-ol;(1-propan-2-ylcyclobutyl)benzene;5-(1-propan-2-ylcyclohexyl)-1,3-benzodioxole;(1-propan-2-ylcyclopropyl)benzene;(2-propan-2-ylcyclopropyl)benzene;1-(1-propan-2-ylcyclopropyl)isoquinoline;3-[(1-propan-2-ylcyclopropyl)methyl]pyridine;2-(1-propan-2-ylcyclopropyl)oxane;3-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxabicyclo[3.2.1]octane;4-propan-2-yloxane;1-propan-2-ylpyrrolidine;2-(2-propan-2-ylspiro[3.3]heptan-2-yl)pyridine
CID 158942881
1-Chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 159214239
1-Chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 159255576
2-Chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine
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1-Chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine
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3-[5-[[4-(1,3-Benzodioxol-4-ylmethyl)piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chloro-4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[6-[[4-[(3-chloro-4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 160355260
1-Chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 160430133
1-Butyl-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;6-fluoro-6-methyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane;6-fluoro-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;1-(3-methoxypropyl)-4-propan-2-ylbenzene;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-propan-2-ylbenzene;methyl-(4-propan-2-ylphenyl)phosphinic acid;5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;3-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 163489261
2-Tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;5-[(3-chloro-2,5-dimethylphenyl)methyl]-2-methyl-1,3-dioxane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;2-chloro-4-ethyl-1-methylbenzene;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;3-methylaniline;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine
CID 167549117

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine (CID 160710487) is 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1c(F)cccc1Cl.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(Cl)c1F.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1cncc(C(F)(F)F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C(C)C)cc1F.Cc1ccccc1C(C)C.
What is the InChIKey of 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is RRUGIHVGWNWBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C15H22.C15H16.C14H21N.C14H20.2C13H19NO.2C13H19N.C10H13Cl.C10H10F2O2.C10H13F.3C10H14.2C9H10ClF.2C9H10F3N/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-7(2)9-5-4-8(3)10(11)6-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-6(2)7-3-4-13-8(5-7)9(10,11)12/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3*4-8H,1-3H3;2*3-6H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3439.12 g/mol, XLogP of 67.49, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160710487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).