1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene

C159H215F4N7O2 — CID 159556190

IUPAC1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(F)c(C(=O)N2CCCCC2)c1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cnc(N(C)C)nc1.CCc1ccccc1C(C)C.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H20FNO.C13H14.C12H13N.2C11H16.C10H11F3O.6C10H14.C9H15N3.2C9H13N/c1-11(2)12-6-7-14(16)13(10-12)15(18)17-8-4-3-5-9-17;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)11-6-5-9(3)10(4)7-11;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;4*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-10-9(11-6-8)12(3)4;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9/h6-7,10-11H,3-5,8-9H2,1-2H3;3-10H,1-2H3;3-9H,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3-7H,1-2H3;6*4-8H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3
InChIKeyMGADRURUJRGNPD-UHFFFAOYSA-N
MW2332.51 g/mol
LogP46.81
Rot. Bonds19

About 1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene

1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene (PubChem CID 159556190) has the molecular formula C159H215F4N7O2 and a molecular weight of 2332.51 g/mol. Its IUPAC name is 1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene
PubChem CID159556190
Molecular FormulaC159H215F4N7O2
Molecular Weight2332.51 g/mol
Exact Mass2330.69
IUPAC Name1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(F)c(C(=O)N2CCCCC2)c1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cnc(N(C)C)nc1.CCc1ccccc1C(C)C.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H20FNO.C13H14.C12H13N.2C11H16.C10H11F3O.6C10H14.C9H15N3.2C9H13N/c1-11(2)12-6-7-14(16)13(10-12)15(18)17-8-4-3-5-9-17;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)11-6-5-9(3)10(4)7-11;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;4*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-10-9(11-6-8)12(3)4;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9/h6-7,10-11H,3-5,8-9H2,1-2H3;3-10H,1-2H3;3-9H,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3-7H,1-2H3;6*4-8H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3
InChIKeyMGADRURUJRGNPD-UHFFFAOYSA-N
XLogP46.81
TPSA97.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002332.51
LogP ≤ 546.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[3-[6-(6-Methoxy-3-pyridinyl)quinazolin-4-yl]benzoyl]piperazin-1-yl]ethanone
CID 71548718
[3-[6-[6-Methoxy-5-(trifluoromethyl)pyridin-3-yl]quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 89517065
[5-[6-(6-Methoxy-3-pyridinyl)quinazolin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 89517226
[4-(6-Methylquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466427
[4-[7-(4-Methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466511
[2-(3-Methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1027508
[2-(4-Methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4606144
1-[4-[3-[6-[6-Methoxy-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzoyl]piperazin-1-yl]ethanone
CID 155542898
[3-[6-(6-Methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 155561152
N-[3-[[4-[5-(4-methoxyphenyl)-3-pyridinyl]pyrimidin-2-yl]amino]-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 168489985
[4-[[2-fluoro-4-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]phenoxy]methyl]phenyl]-[4-(methylamino)-2-quinolin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 177895754
tert-butyl 4-[3-[4-[difluoro-[4-(2-quinolin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)phenyl]methoxy]phenyl]prop-2-ynyl]piperazine-1-carboxylate
CID 177895786

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene?
The IUPAC name of 1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene (CID 159556190) is 1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene is CC(C)c1ccc(F)c(C(=O)N2CCCCC2)c1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cnc(N(C)C)nc1.CCc1ccccc1C(C)C.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.
What is the InChIKey of 1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene?
The InChIKey is MGADRURUJRGNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO.C13H14.C12H13N.2C11H16.C10H11F3O.6C10H14.C9H15N3.2C9H13N/c1-11(2)12-6-7-14(16)13(10-12)15(18)17-8-4-3-5-9-17;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)11-6-5-9(3)10(4)7-11;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;4*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-10-9(11-6-8)12(3)4;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9/h6-7,10-11H,3-5,8-9H2,1-2H3;3-10H,1-2H3;3-9H,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3-7H,1-2H3;6*4-8H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3.
What are the key properties of 1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene?
1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene has a molecular weight of 2332.51 g/mol, XLogP of 46.81, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 159556190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).