2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine

C290H410F5N27O13 — CID 164967652

IUPAC2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine
SMILESCC(C)c1ccc(N2CC(O)C2)cc1.CC(C)c1ccc(N2CC3(CCN3C)C2)cc1.CC(C)c1ccc(N2CC3(CN(C)C3)C2)cc1.CC(C)c1ccc(N2CC3(COC3)C2)cc1.CC(C)c1ccc(N2CC3CC2CO3)cc1.CC(C)c1ccc(N2CC3CCC(C2)N3C)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC2CN3C)cc1.CC(C)c1ccc(N2CC3CCC2CO3)cc1.CC(C)c1ccc(N2CCC3(CC2)CN(C)C3)cc1.CC(C)c1ccc(N2CCC3(CN(C)C3)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CCOC(C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CCOC(F)(F)C2)cc1.CC(C)c1ccc(N2CCOC3(CC3)C2)cc1.CC(C)c1ccc(N2C[C@@H]3CCC2CO3)cc1.CC(C)c1ccc(N2C[C@H]3CCC2CO3)cc1.CC(C)c1ccc2c(ccn2CCO)c1.CC(C)c1ccc2ocnc2c1
InChIInChI=1S/C17H26N2.3C16H24N2.2C15H22N2.C15H24N2.6C15H21NO.C14H18F3NO.2C14H19NO.C13H17F2NO.C13H17NO.C12H17NO.C10H11NO/c1-14(2)15-4-6-16(7-5-15)19-10-8-17(9-11-19)12-18(3)13-17;1-13(2)14-4-6-15(7-5-14)18-9-8-16(12-18)10-17(3)11-16;1-12(2)13-4-6-14(7-5-13)18-11-15-8-9-16(18)10-17(15)3;1-12(2)13-4-6-14(7-5-13)18-10-15-8-9-16(11-18)17(15)3;1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-16(3)9-15;1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-9-16(15)3;1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;3*1-11(2)12-3-5-13(6-4-12)16-9-15-8-7-14(16)10-17-15;2*1-11(2)12-3-5-13(6-4-12)16-9-14-7-8-15(10-16)17-14;1-12(2)13-3-5-14(6-4-13)16-9-10-17-15(11-16)7-8-15;1-10(2)11-3-5-12(6-4-11)18-7-8-19-13(9-18)14(15,16)17;1-11(2)12-3-5-13(6-4-12)15-7-14(8-15)9-16-10-14;1-10(2)11-3-5-12(6-4-11)15-8-14-7-13(15)9-16-14;1-10(2)11-3-5-12(6-4-11)16-7-8-17-13(14,15)9-16;1-10(2)11-3-4-13-12(9-11)5-6-14(13)7-8-15;1-9(2)10-3-5-11(6-4-10)13-7-12(14)8-13;1-7(2)8-3-4-10-9(5-8)11-6-12-10/h4-7,14H,8-13H2,1-3H3;4-7,13H,8-12H2,1-3H3;2*4-7,12,15-16H,8-11H2,1-3H3;2*4-7,12H,8-11H2,1-3H3;5-8,12-13H,9-11H2,1-4H3;5*3-6,11,14-15H,7-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;3-6,10,13H,7-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-6,9-10,15H,7-8H2,1-2H3;3-6,9,12,14H,7-8H2,1-2H3;3-7H,1-2H3/t;;;;;;13-;2*14?,15-;;;;;;;;;;;/m......110.........../s1
InChIKeyCRQINFXAXPNJJW-QGMUJLESSA-N
MW4577.64 g/mol
LogP59.71
Rot. Bonds40

About 2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine

2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine (PubChem CID 164967652) has the molecular formula C290H410F5N27O13 and a molecular weight of 4577.64 g/mol. Its IUPAC name is 2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine
PubChem CID164967652
Molecular FormulaC290H410F5N27O13
Molecular Weight4577.64 g/mol
Exact Mass4574.22
IUPAC Name2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine
SMILESCC(C)c1ccc(N2CC(O)C2)cc1.CC(C)c1ccc(N2CC3(CCN3C)C2)cc1.CC(C)c1ccc(N2CC3(CN(C)C3)C2)cc1.CC(C)c1ccc(N2CC3(COC3)C2)cc1.CC(C)c1ccc(N2CC3CC2CO3)cc1.CC(C)c1ccc(N2CC3CCC(C2)N3C)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC2CN3C)cc1.CC(C)c1ccc(N2CC3CCC2CO3)cc1.CC(C)c1ccc(N2CCC3(CC2)CN(C)C3)cc1.CC(C)c1ccc(N2CCC3(CN(C)C3)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CCOC(C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CCOC(F)(F)C2)cc1.CC(C)c1ccc(N2CCOC3(CC3)C2)cc1.CC(C)c1ccc(N2C[C@@H]3CCC2CO3)cc1.CC(C)c1ccc(N2C[C@H]3CCC2CO3)cc1.CC(C)c1ccc2c(ccn2CCO)c1.CC(C)c1ccc2ocnc2c1
InChIInChI=1S/C17H26N2.3C16H24N2.2C15H22N2.C15H24N2.6C15H21NO.C14H18F3NO.2C14H19NO.C13H17F2NO.C13H17NO.C12H17NO.C10H11NO/c1-14(2)15-4-6-16(7-5-15)19-10-8-17(9-11-19)12-18(3)13-17;1-13(2)14-4-6-15(7-5-14)18-9-8-16(12-18)10-17(3)11-16;1-12(2)13-4-6-14(7-5-13)18-11-15-8-9-16(18)10-17(15)3;1-12(2)13-4-6-14(7-5-13)18-10-15-8-9-16(11-18)17(15)3;1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-16(3)9-15;1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-9-16(15)3;1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;3*1-11(2)12-3-5-13(6-4-12)16-9-15-8-7-14(16)10-17-15;2*1-11(2)12-3-5-13(6-4-12)16-9-14-7-8-15(10-16)17-14;1-12(2)13-3-5-14(6-4-13)16-9-10-17-15(11-16)7-8-15;1-10(2)11-3-5-12(6-4-11)18-7-8-19-13(9-18)14(15,16)17;1-11(2)12-3-5-13(6-4-12)15-7-14(8-15)9-16-10-14;1-10(2)11-3-5-12(6-4-11)15-8-14-7-13(15)9-16-14;1-10(2)11-3-5-12(6-4-11)16-7-8-17-13(14,15)9-16;1-10(2)11-3-4-13-12(9-11)5-6-14(13)7-8-15;1-9(2)10-3-5-11(6-4-10)13-7-12(14)8-13;1-7(2)8-3-4-10-9(5-8)11-6-12-10/h4-7,14H,8-13H2,1-3H3;4-7,13H,8-12H2,1-3H3;2*4-7,12,15-16H,8-11H2,1-3H3;2*4-7,12H,8-11H2,1-3H3;5-8,12-13H,9-11H2,1-4H3;5*3-6,11,14-15H,7-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;3-6,10,13H,7-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-6,9-10,15H,7-8H2,1-2H3;3-6,9,12,14H,7-8H2,1-2H3;3-7H,1-2H3/t;;;;;;13-;2*14?,15-;;;;;;;;;;;/m......110.........../s1
InChIKeyCRQINFXAXPNJJW-QGMUJLESSA-N
XLogP59.71
TPSA244.72 Ų
H-Bond Donors2
H-Bond Acceptors40
Rotatable Bonds40
Heavy Atoms335
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004577.64
LogP ≤ 559.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1040

Analyze 2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine with MolForge

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What is the IUPAC name of 2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine (CID 164967652) is 2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine is CC(C)c1ccc(N2CC(O)C2)cc1.CC(C)c1ccc(N2CC3(CCN3C)C2)cc1.CC(C)c1ccc(N2CC3(CN(C)C3)C2)cc1.CC(C)c1ccc(N2CC3(COC3)C2)cc1.CC(C)c1ccc(N2CC3CC2CO3)cc1.CC(C)c1ccc(N2CC3CCC(C2)N3C)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC2CN3C)cc1.CC(C)c1ccc(N2CC3CCC2CO3)cc1.CC(C)c1ccc(N2CCC3(CC2)CN(C)C3)cc1.CC(C)c1ccc(N2CCC3(CN(C)C3)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CCOC(C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CCOC(F)(F)C2)cc1.CC(C)c1ccc(N2CCOC3(CC3)C2)cc1.CC(C)c1ccc(N2C[C@@H]3CCC2CO3)cc1.CC(C)c1ccc(N2C[C@H]3CCC2CO3)cc1.CC(C)c1ccc2c(ccn2CCO)c1.CC(C)c1ccc2ocnc2c1.
What is the InChIKey of 2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine?
The InChIKey is CRQINFXAXPNJJW-QGMUJLESSA-N. The full InChI is InChI=1S/C17H26N2.3C16H24N2.2C15H22N2.C15H24N2.6C15H21NO.C14H18F3NO.2C14H19NO.C13H17F2NO.C13H17NO.C12H17NO.C10H11NO/c1-14(2)15-4-6-16(7-5-15)19-10-8-17(9-11-19)12-18(3)13-17;1-13(2)14-4-6-15(7-5-14)18-9-8-16(12-18)10-17(3)11-16;1-12(2)13-4-6-14(7-5-13)18-11-15-8-9-16(18)10-17(15)3;1-12(2)13-4-6-14(7-5-13)18-10-15-8-9-16(11-18)17(15)3;1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-16(3)9-15;1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-9-16(15)3;1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;3*1-11(2)12-3-5-13(6-4-12)16-9-15-8-7-14(16)10-17-15;2*1-11(2)12-3-5-13(6-4-12)16-9-14-7-8-15(10-16)17-14;1-12(2)13-3-5-14(6-4-13)16-9-10-17-15(11-16)7-8-15;1-10(2)11-3-5-12(6-4-11)18-7-8-19-13(9-18)14(15,16)17;1-11(2)12-3-5-13(6-4-12)15-7-14(8-15)9-16-10-14;1-10(2)11-3-5-12(6-4-11)15-8-14-7-13(15)9-16-14;1-10(2)11-3-5-12(6-4-11)16-7-8-17-13(14,15)9-16;1-10(2)11-3-4-13-12(9-11)5-6-14(13)7-8-15;1-9(2)10-3-5-11(6-4-10)13-7-12(14)8-13;1-7(2)8-3-4-10-9(5-8)11-6-12-10/h4-7,14H,8-13H2,1-3H3;4-7,13H,8-12H2,1-3H3;2*4-7,12,15-16H,8-11H2,1-3H3;2*4-7,12H,8-11H2,1-3H3;5-8,12-13H,9-11H2,1-4H3;5*3-6,11,14-15H,7-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;3-6,10,13H,7-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-6,9-10,15H,7-8H2,1-2H3;3-6,9,12,14H,7-8H2,1-2H3;3-7H,1-2H3/t;;;;;;13-;2*14?,15-;;;;;;;;;;;/m......110.........../s1.
What are the key properties of 2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine?
2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine has a molecular weight of 4577.64 g/mol, XLogP of 59.71, 40 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;2-methyl-7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane;2-methyl-6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.4]octane;5-propan-2-yl-1,3-benzoxazole;2-(5-propan-2-ylindol-1-yl)ethanol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;(1R)-5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;bis(3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane);5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 164967652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).