2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine

C175H236F26N14O6 — CID 157116446

IUPAC2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine
SMILESCCN(C)c1cc(C)ccc1C(C)C.CCOc1ccc(C(C)C)c(C(F)(F)F)n1.CCc1ccc(C(C)C)c(C(F)(F)F)n1.COc1cc(C)ccc1C(C)C.COc1ccc(C(C)C)c(C(F)(F)F)c1.COc1ccc(C(C)C)c(C(F)(F)F)n1.COc1ccc(C(C)C)c(C(F)(F)F)n1.Cc1cc(N(C)C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(C#N)c1.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C(F)(F)F)n1.Cc1ccc(C(C)C)c(C(F)(F)F)n1.Cc1ccc(C(C)C)c(C(F)F)c1.Cc1ccc(C(C)C)c(C(N)=O)c1.Cc1ccc(C(C)C)c(N(C)C)c1.Cc1ccc(C(C)C)c(N(C)C)n1
InChIInChI=1S/C13H21N.C12H19N.C11H14F3NO.C11H14F3N.C11H13F3O.C11H13F3.C11H14F2.2C11H18N2.C11H15NO.C11H13N.C11H16O.2C10H12F3NO.2C10H12F3N/c1-6-14(5)13-9-11(4)7-8-12(13)10(2)3;1-9(2)11-7-6-10(3)8-12(11)13(4)5;1-4-16-9-6-5-8(7(2)3)10(15-9)11(12,13)14;1-4-8-5-6-9(7(2)3)10(15-8)11(12,13)14;1-7(2)9-5-4-8(15-3)6-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-8(2)10-7-12-9(3)6-11(10)13(4)5;1-8(2)10-7-6-9(3)12-11(10)13(4)5;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-8(2)11-5-4-9(3)6-10(11)7-12;1-8(2)10-6-5-9(3)7-11(10)12-4;2*1-6(2)7-4-5-8(15-3)14-9(7)10(11,12)13;2*1-6(2)8-5-4-7(3)14-9(8)10(11,12)13/h7-10H,6H2,1-5H3;6-9H,1-5H3;5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3;2*6-8H,1-5H3;4-7H,1-3H3,(H2,12,13);4-6,8H,1-3H3;5-8H,1-4H3;2*4-6H,1-3H3;2*4-6H,1-3H3
InChIKeyAHLRMKONXCQMAO-UHFFFAOYSA-N
MW3125.85 g/mol
LogP53.22
Rot. Bonds30

About 2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine

2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine (PubChem CID 157116446) has the molecular formula C175H236F26N14O6 and a molecular weight of 3125.85 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine
PubChem CID157116446
Molecular FormulaC175H236F26N14O6
Molecular Weight3125.85 g/mol
Exact Mass3123.82
IUPAC Name2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine
SMILESCCN(C)c1cc(C)ccc1C(C)C.CCOc1ccc(C(C)C)c(C(F)(F)F)n1.CCc1ccc(C(C)C)c(C(F)(F)F)n1.COc1cc(C)ccc1C(C)C.COc1ccc(C(C)C)c(C(F)(F)F)c1.COc1ccc(C(C)C)c(C(F)(F)F)n1.COc1ccc(C(C)C)c(C(F)(F)F)n1.Cc1cc(N(C)C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(C#N)c1.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C(F)(F)F)n1.Cc1ccc(C(C)C)c(C(F)(F)F)n1.Cc1ccc(C(C)C)c(C(F)F)c1.Cc1ccc(C(C)C)c(C(N)=O)c1.Cc1ccc(C(C)C)c(N(C)C)c1.Cc1ccc(C(C)C)c(N(C)C)n1
InChIInChI=1S/C13H21N.C12H19N.C11H14F3NO.C11H14F3N.C11H13F3O.C11H13F3.C11H14F2.2C11H18N2.C11H15NO.C11H13N.C11H16O.2C10H12F3NO.2C10H12F3N/c1-6-14(5)13-9-11(4)7-8-12(13)10(2)3;1-9(2)11-7-6-10(3)8-12(11)13(4)5;1-4-16-9-6-5-8(7(2)3)10(15-9)11(12,13)14;1-4-8-5-6-9(7(2)3)10(15-8)11(12,13)14;1-7(2)9-5-4-8(15-3)6-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-8(2)10-7-12-9(3)6-11(10)13(4)5;1-8(2)10-7-6-9(3)12-11(10)13(4)5;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-8(2)11-5-4-9(3)6-10(11)7-12;1-8(2)10-6-5-9(3)7-11(10)12-4;2*1-6(2)7-4-5-8(15-3)14-9(7)10(11,12)13;2*1-6(2)8-5-4-7(3)14-9(8)10(11,12)13/h7-10H,6H2,1-5H3;6-9H,1-5H3;5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3;2*6-8H,1-5H3;4-7H,1-3H3,(H2,12,13);4-6,8H,1-3H3;5-8H,1-4H3;2*4-6H,1-3H3;2*4-6H,1-3H3
InChIKeyAHLRMKONXCQMAO-UHFFFAOYSA-N
XLogP53.22
TPSA229.11 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003125.85
LogP ≤ 553.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-4-cyclopropyloxy-1-propan-2-ylbenzene;2-chloro-4-ethoxy-1-propan-2-ylbenzene;5-chloro-2-propan-2-ylbenzamide;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-6-methyl-3-propan-2-ylpyridine;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-6-propyl-2-(trifluoromethyl)pyridine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine
CID 157118165
N-[6-amino-5-(7-fluoro-2-methylquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoroquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(8-methylquinolin-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 157569777
(2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-fluoro-4-methoxyquinolin-8-yl]benzonitrile;3-[6-[(3S,5R)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
CID 157957835
N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine
CID 158109496
(1S)-1-[2-(1,1-difluoroethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(2-hydroxypropan-2-yl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinoline-2-carbonitrile;N-[7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-yl]benzamide
CID 158440660
7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen
CID 158635714
bis(3-chloro-5-methyl-2-propan-2-ylpyridine);4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;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;5-methyl-2-propan-2-ylbenzonitrile;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine
CID 159588491
(1S)-1-[2-(1,1-difluoroethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(2-hydroxypropan-2-yl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinoline-2-carbonitrile;N-[7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-yl]acetamide;N-[7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-yl]benzamide
CID 159620096
N-[5-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 160027560
CID 160043159
CID 160043159
N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxyphenyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide
CID 160056513
2-[2-(2-cyanophenyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]methyl]pyrimidine-5-carbonitrile;4-[2-[[5-cyano-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]methyl]pyrimidin-2-yl]amino]ethyl]benzamide;2-[2-[3-(2,2-difluoropropoxy)phenyl]ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[2-[4-(1-hydroxyethenyl)phenyl]ethylamino]pyrimidine-5-carbonitrile
CID 160846761

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine?
The IUPAC name of 2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine (CID 157116446) is 2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine?
The canonical SMILES for 2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine is CCN(C)c1cc(C)ccc1C(C)C.CCOc1ccc(C(C)C)c(C(F)(F)F)n1.CCc1ccc(C(C)C)c(C(F)(F)F)n1.COc1cc(C)ccc1C(C)C.COc1ccc(C(C)C)c(C(F)(F)F)c1.COc1ccc(C(C)C)c(C(F)(F)F)n1.COc1ccc(C(C)C)c(C(F)(F)F)n1.Cc1cc(N(C)C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(C#N)c1.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(C(F)(F)F)n1.Cc1ccc(C(C)C)c(C(F)(F)F)n1.Cc1ccc(C(C)C)c(C(F)F)c1.Cc1ccc(C(C)C)c(C(N)=O)c1.Cc1ccc(C(C)C)c(N(C)C)c1.Cc1ccc(C(C)C)c(N(C)C)n1.
What is the InChIKey of 2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine?
The InChIKey is AHLRMKONXCQMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.C12H19N.C11H14F3NO.C11H14F3N.C11H13F3O.C11H13F3.C11H14F2.2C11H18N2.C11H15NO.C11H13N.C11H16O.2C10H12F3NO.2C10H12F3N/c1-6-14(5)13-9-11(4)7-8-12(13)10(2)3;1-9(2)11-7-6-10(3)8-12(11)13(4)5;1-4-16-9-6-5-8(7(2)3)10(15-9)11(12,13)14;1-4-8-5-6-9(7(2)3)10(15-8)11(12,13)14;1-7(2)9-5-4-8(15-3)6-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-8(2)10-7-12-9(3)6-11(10)13(4)5;1-8(2)10-7-6-9(3)12-11(10)13(4)5;1-7(2)9-5-4-8(3)6-10(9)11(12)13;1-8(2)11-5-4-9(3)6-10(11)7-12;1-8(2)10-6-5-9(3)7-11(10)12-4;2*1-6(2)7-4-5-8(15-3)14-9(7)10(11,12)13;2*1-6(2)8-5-4-7(3)14-9(8)10(11,12)13/h7-10H,6H2,1-5H3;6-9H,1-5H3;5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3;2*6-8H,1-5H3;4-7H,1-3H3,(H2,12,13);4-6,8H,1-3H3;5-8H,1-4H3;2*4-6H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine?
2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine has a molecular weight of 3125.85 g/mol, XLogP of 53.22, 30 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 157116446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).