1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene

C292H405F6N25O17 — CID 165106185

IUPAC1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)c1ccc(-n2cc(F)cn2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOC(C)(C)C2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCO[C@@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CCO[C@@H](C)C2)cc1.CC(C)c1ccc(N2CCO[C@H](C)C2)cc1.CC(C)c1ccc(N2CC[C@@H](O)C2)cc1.CC(C)c1ccc(N2CC[C@H](O)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1.CC(C)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(OC2CC2)cc1.CC(C)c1ccc(OC2CC2)cn1.CC(C)c1ccc(OCC(F)(F)F)cc1.CC(C)c1ccc(OCCO)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2c(cnn2C)c1.Cc1nc2cc(C(C)C)ccc2o1
InChIInChI=1S/4C15H23NO.C14H19F2NO.3C14H21NO.C13H20N2.3C13H19NO.C12H13FN2.C12H14N2.C12H15N.C12H16O.C11H13F3O.C11H14N2.C11H13NO.C11H15NO.C11H13N.C11H16O2.C10H12N2/c3*1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-5-7-14(8-6-13)16-9-10-17-15(3,4)11-16;1-10(2)11-3-5-12(6-4-11)17-7-8-18-13(9-17)14(15)16;2*1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;2*1-10(2)11-3-5-12(6-4-11)14-8-7-13(15)9-14;1-9(2)10-3-5-12(6-4-10)15-8-11(13)7-14-15;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-3-5-11(6-4-10)13-12-7-8-12;1-8(2)9-3-5-10(6-4-9)15-7-11(12,13)14;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-8(2)11-6-5-10(7-12-11)13-9-3-4-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-9(2)10-3-5-11(6-4-10)13-8-7-12;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h3*5-8,11-13H,9-10H2,1-4H3;5-8,12H,9-11H2,1-4H3;3-6,10,13-14H,7-9H2,1-2H3;2*4-7,11-12H,8-10H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;2*3-6,10,13,15H,7-9H2,1-2H3;3-9H,1-2H3;3-10H,1-2H3;4-9H,1-3H3;3-6,9,12H,7-8H2,1-2H3;3-6,8H,7H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;5-9H,3-4H2,1-2H3;3-8,12H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-7H,1-2H3,(H,11,12)/t12-,13+;2*12-,13-;;13-;2*12-;;;;2*13-;;;;;;;;;;;/m.10.110...10.........../s1
InChIKeyZDYKWJULYVPCHG-KNUMQRRHSA-N
MW4651.60 g/mol
LogP68.84
Rot. Bonds47

About 1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene

1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene (PubChem CID 165106185) has the molecular formula C292H405F6N25O17 and a molecular weight of 4651.60 g/mol. Its IUPAC name is 1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene
PubChem CID165106185
Molecular FormulaC292H405F6N25O17
Molecular Weight4651.60 g/mol
Exact Mass4648.15
IUPAC Name1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)c1ccc(-n2cc(F)cn2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOC(C)(C)C2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCO[C@@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CCO[C@@H](C)C2)cc1.CC(C)c1ccc(N2CCO[C@H](C)C2)cc1.CC(C)c1ccc(N2CC[C@@H](O)C2)cc1.CC(C)c1ccc(N2CC[C@H](O)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1.CC(C)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(OC2CC2)cc1.CC(C)c1ccc(OC2CC2)cn1.CC(C)c1ccc(OCC(F)(F)F)cc1.CC(C)c1ccc(OCCO)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2c(cnn2C)c1.Cc1nc2cc(C(C)C)ccc2o1
InChIInChI=1S/4C15H23NO.C14H19F2NO.3C14H21NO.C13H20N2.3C13H19NO.C12H13FN2.C12H14N2.C12H15N.C12H16O.C11H13F3O.C11H14N2.C11H13NO.C11H15NO.C11H13N.C11H16O2.C10H12N2/c3*1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-5-7-14(8-6-13)16-9-10-17-15(3,4)11-16;1-10(2)11-3-5-12(6-4-11)17-7-8-18-13(9-17)14(15)16;2*1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;2*1-10(2)11-3-5-12(6-4-11)14-8-7-13(15)9-14;1-9(2)10-3-5-12(6-4-10)15-8-11(13)7-14-15;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-3-5-11(6-4-10)13-12-7-8-12;1-8(2)9-3-5-10(6-4-9)15-7-11(12,13)14;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-8(2)11-6-5-10(7-12-11)13-9-3-4-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-9(2)10-3-5-11(6-4-10)13-8-7-12;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h3*5-8,11-13H,9-10H2,1-4H3;5-8,12H,9-11H2,1-4H3;3-6,10,13-14H,7-9H2,1-2H3;2*4-7,11-12H,8-10H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;2*3-6,10,13,15H,7-9H2,1-2H3;3-9H,1-2H3;3-10H,1-2H3;4-9H,1-3H3;3-6,9,12H,7-8H2,1-2H3;3-6,8H,7H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;5-9H,3-4H2,1-2H3;3-8,12H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-7H,1-2H3,(H,11,12)/t12-,13+;2*12-,13-;;13-;2*12-;;;;2*13-;;;;;;;;;;;/m.10.110...10.........../s1
InChIKeyZDYKWJULYVPCHG-KNUMQRRHSA-N
XLogP68.84
TPSA384.37 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds47
Heavy Atoms340
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004651.60
LogP ≤ 568.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Analyze 1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene (CID 165106185) is 1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene is CC(C)c1ccc(-n2cc(F)cn2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOC(C)(C)C2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCO[C@@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CCO[C@@H](C)C2)cc1.CC(C)c1ccc(N2CCO[C@H](C)C2)cc1.CC(C)c1ccc(N2CC[C@@H](O)C2)cc1.CC(C)c1ccc(N2CC[C@H](O)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1.CC(C)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(OC2CC2)cc1.CC(C)c1ccc(OC2CC2)cn1.CC(C)c1ccc(OCC(F)(F)F)cc1.CC(C)c1ccc(OCCO)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2c(cnn2C)c1.Cc1nc2cc(C(C)C)ccc2o1.
What is the InChIKey of 1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is ZDYKWJULYVPCHG-KNUMQRRHSA-N. The full InChI is InChI=1S/4C15H23NO.C14H19F2NO.3C14H21NO.C13H20N2.3C13H19NO.C12H13FN2.C12H14N2.C12H15N.C12H16O.C11H13F3O.C11H14N2.C11H13NO.C11H15NO.C11H13N.C11H16O2.C10H12N2/c3*1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-5-7-14(8-6-13)16-9-10-17-15(3,4)11-16;1-10(2)11-3-5-12(6-4-11)17-7-8-18-13(9-17)14(15)16;2*1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;2*1-10(2)11-3-5-12(6-4-11)14-8-7-13(15)9-14;1-9(2)10-3-5-12(6-4-10)15-8-11(13)7-14-15;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-3-5-11(6-4-10)13-12-7-8-12;1-8(2)9-3-5-10(6-4-9)15-7-11(12,13)14;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-8(2)11-6-5-10(7-12-11)13-9-3-4-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-9(2)10-3-5-11(6-4-10)13-8-7-12;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h3*5-8,11-13H,9-10H2,1-4H3;5-8,12H,9-11H2,1-4H3;3-6,10,13-14H,7-9H2,1-2H3;2*4-7,11-12H,8-10H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;2*3-6,10,13,15H,7-9H2,1-2H3;3-9H,1-2H3;3-10H,1-2H3;4-9H,1-3H3;3-6,9,12H,7-8H2,1-2H3;3-6,8H,7H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;5-9H,3-4H2,1-2H3;3-8,12H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-7H,1-2H3,(H,11,12)/t12-,13+;2*12-,13-;;13-;2*12-;;;;2*13-;;;;;;;;;;;/m.10.110...10.........../s1.
What are the key properties of 1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene?
1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 4651.60 g/mol, XLogP of 68.84, 47 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyloxy-4-propan-2-ylbenzene;5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;2,2-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;4-fluoro-1-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;2-(4-propan-2-ylphenoxy)ethanol;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-(4-propan-2-ylphenyl)pyrazole;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 165106185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).