1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene

C217H311ClFN11O2 — CID 158304315

IUPAC1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene
SMILESCC(C)C(C)c1ccccc1.CC(C)Cc1ccc(F)cc1.CC(C)Nc1ccccc1.CC(C)Oc1ccccc1.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1C1CC1.CC(C)c1ccccc1C1CC1.CC(C)c1ccccc1Cl.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C1CC1.CC(C)c1cncnc1C(C)C.CCC(C)c1ccccc1C(C)C.CCc1ccccc1C(C)C.COc1ccccc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.Cc1cnccc1C(C)C.Cc1cncnc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C13H20.2C12H16.C12H18.C11H15N.2C11H17N.3C11H16.C10H13F.C10H16N2.C10H14O.C10H14.C9H11Cl.4C9H13N.C9H12O.C8H12N2/c1-5-11(4)13-9-7-6-8-12(13)10(2)3;2*1-9(2)11-5-3-4-6-12(11)10-7-8-10;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-5-6-12-7-11(10)9-3-4-9;2*1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)11-7-9(3)5-6-10(11)4;1-9(2)10(3)11-7-5-4-6-8-11;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)9-5-11-6-12-10(9)8(3)4;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-8(3)5-4-6-10-9;2*1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-7(3)4-9-5-10-8/h6-11H,5H2,1-4H3;2*3-6,9-10H,7-8H2,1-2H3;5-10H,1-4H3;5-9H,3-4H2,1-2H3;2*5-9H,1-4H3;5-8H,1-4H3;4-10H,1-3H3;5-9H,4H2,1-3H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;3-8,10H,1-2H3;3-8H,1-2H3;4-6H,1-3H3
InChIKeyGMWTWMMYFZHKBY-UHFFFAOYSA-N
MW3160.40 g/mol
LogP65.19
Rot. Bonds36

About 1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene

1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene (PubChem CID 158304315) has the molecular formula C217H311ClFN11O2 and a molecular weight of 3160.40 g/mol. Its IUPAC name is 1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene.

Molecular Properties

Compound Name1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene
PubChem CID158304315
Molecular FormulaC217H311ClFN11O2
Molecular Weight3160.40 g/mol
Exact Mass3157.42
IUPAC Name1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene
SMILESCC(C)C(C)c1ccccc1.CC(C)Cc1ccc(F)cc1.CC(C)Nc1ccccc1.CC(C)Oc1ccccc1.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1C1CC1.CC(C)c1ccccc1C1CC1.CC(C)c1ccccc1Cl.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C1CC1.CC(C)c1cncnc1C(C)C.CCC(C)c1ccccc1C(C)C.CCc1ccccc1C(C)C.COc1ccccc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.Cc1cnccc1C(C)C.Cc1cncnc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C13H20.2C12H16.C12H18.C11H15N.2C11H17N.3C11H16.C10H13F.C10H16N2.C10H14O.C10H14.C9H11Cl.4C9H13N.C9H12O.C8H12N2/c1-5-11(4)13-9-7-6-8-12(13)10(2)3;2*1-9(2)11-5-3-4-6-12(11)10-7-8-10;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-5-6-12-7-11(10)9-3-4-9;2*1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)11-7-9(3)5-6-10(11)4;1-9(2)10(3)11-7-5-4-6-8-11;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)9-5-11-6-12-10(9)8(3)4;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-8(3)5-4-6-10-9;2*1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-7(3)4-9-5-10-8/h6-11H,5H2,1-4H3;2*3-6,9-10H,7-8H2,1-2H3;5-10H,1-4H3;5-9H,3-4H2,1-2H3;2*5-9H,1-4H3;5-8H,1-4H3;4-10H,1-3H3;5-9H,4H2,1-3H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;3-8,10H,1-2H3;3-8H,1-2H3;4-6H,1-3H3
InChIKeyGMWTWMMYFZHKBY-UHFFFAOYSA-N
XLogP65.19
TPSA159.39 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds36
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003160.40
LogP ≤ 565.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene with MolForge

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Launch Full Analysis

Related Compounds

2-[5-[[4-[[2-(5-chloro-2-fluorophenyl)-5-phenoxypyrimidin-4-yl]amino]-3-methyl-2-pyridinyl]methyl]-2-fluorophenyl]-5-phenoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 142902230
4-[2-(1-chloro-6-methylisoquinolin-5-yl)oxypyridin-3-yl]-N-methylpyrimidin-2-amine;6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine
CID 157059233
6-Chloro-2,3-di(propan-2-yl)pyridine;6-cyclopropyl-2,3-di(propan-2-yl)pyridine;6-cyclopropyloxy-2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;4-fluoro-2,3-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine
CID 157377628
CID 157835122
CID 157835122
1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158223644
N-[3,3-bis(4-fluorophenyl)propyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-4-pyrimidin-2-yloxypiperidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide;4-pyrimidin-2-yloxy-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;4-pyrimidin-2-yloxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 158926093
4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline
CID 159096914
6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 159658601
4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2-chlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(5-fluoro-2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-pyridin-2-ylpyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 160061861
3-chloro-5-methyl-2-propan-2-ylpyridine;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2-ethoxy-4-methyl-1-propan-2-ylbenzene;4-ethoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;2-ethyl-6-methyl-3-propan-2-ylpyridine;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine
CID 161564391
(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine
CID 163607088
4-[2-(1-chloro-6-methylisoquinolin-5-yl)oxypyridin-3-yl]-1-methyl-2H-pyrimidin-2-amine;6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine
CID 161151808

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene?
The IUPAC name of 1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene (CID 158304315) is 1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene.
What is the SMILES notation for 1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene?
The canonical SMILES for 1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene is CC(C)C(C)c1ccccc1.CC(C)Cc1ccc(F)cc1.CC(C)Nc1ccccc1.CC(C)Oc1ccccc1.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1C1CC1.CC(C)c1ccccc1C1CC1.CC(C)c1ccccc1Cl.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C1CC1.CC(C)c1cncnc1C(C)C.CCC(C)c1ccccc1C(C)C.CCc1ccccc1C(C)C.COc1ccccc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.Cc1cnccc1C(C)C.Cc1cncnc1C(C)C.Cc1ncccc1C(C)C.
What is the InChIKey of 1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene?
The InChIKey is GMWTWMMYFZHKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.2C12H16.C12H18.C11H15N.2C11H17N.3C11H16.C10H13F.C10H16N2.C10H14O.C10H14.C9H11Cl.4C9H13N.C9H12O.C8H12N2/c1-5-11(4)13-9-7-6-8-12(13)10(2)3;2*1-9(2)11-5-3-4-6-12(11)10-7-8-10;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-5-6-12-7-11(10)9-3-4-9;2*1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)11-7-9(3)5-6-10(11)4;1-9(2)10(3)11-7-5-4-6-8-11;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)9-5-11-6-12-10(9)8(3)4;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-8(3)5-4-6-10-9;2*1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-7(3)4-9-5-10-8/h6-11H,5H2,1-4H3;2*3-6,9-10H,7-8H2,1-2H3;5-10H,1-4H3;5-9H,3-4H2,1-2H3;2*5-9H,1-4H3;5-8H,1-4H3;4-10H,1-3H3;5-9H,4H2,1-3H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;3-8,10H,1-2H3;3-8H,1-2H3;4-6H,1-3H3.
What are the key properties of 1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene?
1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene has a molecular weight of 3160.40 g/mol, XLogP of 65.19, 36 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;bis(1-cyclopropyl-2-propan-2-ylbenzene);3-cyclopropyl-4-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)pyrimidine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-4-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-4-propan-2-ylpyrimidine;N-propan-2-ylaniline;propan-2-yloxybenzene is sourced from PubChem (CID 158304315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).