4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine

C236H298Cl6F18N30O8 — CID 164961296

IUPAC4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine
SMILESCC(C)c1c(F)ccc2[nH]cnc12.CC(C)c1c(F)ccc2c1C(=O)CC=C2.CC(C)c1c(F)ccc2c1C(=O)NC2.CC(C)c1c(F)ccc2n[nH]nc12.CC(C)c1c(F)cccc1OC(F)F.CC(C)c1c(F)ccnc1N.CC(C)c1c(N)ccc(Cl)c1F.CC(C)c1c(N)cccc1F.CC(C)c1c(N)ncc(Cl)c1F.CC(C)c1c(O)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1F.CC(C)c1cc(OC(F)F)ccc1F.CC(C)c1cccnc1N.Cc1c(Cl)ccc(O)c1C(C)C.Cc1c(Cl)cnc(N)c1C(C)C.Cc1cc(N)c(C(C)C)c(C)n1.Cc1ccc(F)c(C(C)C)c1.Cc1ccc(N)c(C(C)C)n1.Cc1ccc2[nH]cnc2c1C(C)C.Cc1ccc2c(c1C(C)C)C(=O)CC=C2.Cc1ccc2c(c1C(C)C)C(=O)NC2.Cc1ccc2n[nH]nc2c1C(C)C.Cc1ncc(N)c(C(C)C)c1F.Cc1nccc(N)c1C(C)C
InChIInChI=1S/C14H16O.C13H13FO.C12H15NO.C11H12FNO.C11H14N2.C10H13ClO.2C10H11F3O.C10H11FN2.C10H13F.C10H13N3.C10H16N2.C9H11ClFN.C9H10ClFO.C9H10ClF.C9H13ClN2.C9H10FN3.C9H13FN2.C9H12FN.2C9H14N2.C8H10ClFN2.C8H11FN2.C8H12N2/c1-9(2)13-10(3)7-8-11-5-4-6-12(15)14(11)13;1-8(2)12-10(14)7-6-9-4-3-5-11(15)13(9)12;1-7(2)10-8(3)4-5-9-6-13-12(14)11(9)10;1-6(2)9-8(12)4-3-7-5-13-11(14)10(7)9;1-7(2)10-8(3)4-5-9-11(10)13-6-12-9;1-6(2)10-7(3)8(11)4-5-9(10)12;1-6(2)8-5-7(14-10(12)13)3-4-9(8)11;1-6(2)9-7(11)4-3-5-8(9)14-10(12)13;1-6(2)9-7(11)3-4-8-10(9)13-5-12-8;1-7(2)9-6-8(3)4-5-10(9)11;1-6(2)9-7(3)4-5-8-10(9)12-13-11-8;1-6(2)10-8(4)12-7(3)5-9(10)11;2*1-5(2)8-7(12)4-3-6(10)9(8)11;1-6(2)8-5-7(10)3-4-9(8)11;1-5(2)8-6(3)7(10)4-12-9(8)11;1-5(2)8-6(10)3-4-7-9(8)12-13-11-7;1-5(2)8-7(11)4-12-6(3)9(8)10;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)11-5-4-8(9)10;1-6(2)9-8(10)5-4-7(3)11-9;1-4(2)6-7(10)5(9)3-12-8(6)11;1-5(2)7-6(9)3-4-11-8(7)10;1-6(2)7-4-3-5-10-8(7)9/h4-5,7-9H,6H2,1-3H3;3-4,6-8H,5H2,1-2H3;4-5,7H,6H2,1-3H3,(H,13,14);3-4,6H,5H2,1-2H3,(H,13,14);4-7H,1-3H3,(H,12,13);4-6,12H,1-3H3;2*3-6,10H,1-2H3;3-6H,1-2H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);5-6H,1-4H3,(H2,11,12);3-5H,12H2,1-2H3;3-5,12H,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H2,11,12);3-5H,1-2H3,(H,11,12,13);4-5H,11H2,1-3H3;3-6H,11H2,1-2H3;4-6H,1-3H3,(H2,10,11);4-6H,10H2,1-3H3;3-4H,1-2H3,(H2,11,12);3-5H,1-2H3,(H2,10,11);3-6H,1-2H3,(H2,9,10)
InChIKeyBWMHPVKXYOJCKO-UHFFFAOYSA-N
MW4237.86 g/mol
LogP66.59
Rot. Bonds28

About 4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine

4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine (PubChem CID 164961296) has the molecular formula C236H298Cl6F18N30O8 and a molecular weight of 4237.86 g/mol. Its IUPAC name is 4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine
PubChem CID164961296
Molecular FormulaC236H298Cl6F18N30O8
Molecular Weight4237.86 g/mol
Exact Mass4232.17
IUPAC Name4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine
SMILESCC(C)c1c(F)ccc2[nH]cnc12.CC(C)c1c(F)ccc2c1C(=O)CC=C2.CC(C)c1c(F)ccc2c1C(=O)NC2.CC(C)c1c(F)ccc2n[nH]nc12.CC(C)c1c(F)cccc1OC(F)F.CC(C)c1c(F)ccnc1N.CC(C)c1c(N)ccc(Cl)c1F.CC(C)c1c(N)cccc1F.CC(C)c1c(N)ncc(Cl)c1F.CC(C)c1c(O)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1F.CC(C)c1cc(OC(F)F)ccc1F.CC(C)c1cccnc1N.Cc1c(Cl)ccc(O)c1C(C)C.Cc1c(Cl)cnc(N)c1C(C)C.Cc1cc(N)c(C(C)C)c(C)n1.Cc1ccc(F)c(C(C)C)c1.Cc1ccc(N)c(C(C)C)n1.Cc1ccc2[nH]cnc2c1C(C)C.Cc1ccc2c(c1C(C)C)C(=O)CC=C2.Cc1ccc2c(c1C(C)C)C(=O)NC2.Cc1ccc2n[nH]nc2c1C(C)C.Cc1ncc(N)c(C(C)C)c1F.Cc1nccc(N)c1C(C)C
InChIInChI=1S/C14H16O.C13H13FO.C12H15NO.C11H12FNO.C11H14N2.C10H13ClO.2C10H11F3O.C10H11FN2.C10H13F.C10H13N3.C10H16N2.C9H11ClFN.C9H10ClFO.C9H10ClF.C9H13ClN2.C9H10FN3.C9H13FN2.C9H12FN.2C9H14N2.C8H10ClFN2.C8H11FN2.C8H12N2/c1-9(2)13-10(3)7-8-11-5-4-6-12(15)14(11)13;1-8(2)12-10(14)7-6-9-4-3-5-11(15)13(9)12;1-7(2)10-8(3)4-5-9-6-13-12(14)11(9)10;1-6(2)9-8(12)4-3-7-5-13-11(14)10(7)9;1-7(2)10-8(3)4-5-9-11(10)13-6-12-9;1-6(2)10-7(3)8(11)4-5-9(10)12;1-6(2)8-5-7(14-10(12)13)3-4-9(8)11;1-6(2)9-7(11)4-3-5-8(9)14-10(12)13;1-6(2)9-7(11)3-4-8-10(9)13-5-12-8;1-7(2)9-6-8(3)4-5-10(9)11;1-6(2)9-7(3)4-5-8-10(9)12-13-11-8;1-6(2)10-8(4)12-7(3)5-9(10)11;2*1-5(2)8-7(12)4-3-6(10)9(8)11;1-6(2)8-5-7(10)3-4-9(8)11;1-5(2)8-6(3)7(10)4-12-9(8)11;1-5(2)8-6(10)3-4-7-9(8)12-13-11-7;1-5(2)8-7(11)4-12-6(3)9(8)10;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)11-5-4-8(9)10;1-6(2)9-8(10)5-4-7(3)11-9;1-4(2)6-7(10)5(9)3-12-8(6)11;1-5(2)7-6(9)3-4-11-8(7)10;1-6(2)7-4-3-5-10-8(7)9/h4-5,7-9H,6H2,1-3H3;3-4,6-8H,5H2,1-2H3;4-5,7H,6H2,1-3H3,(H,13,14);3-4,6H,5H2,1-2H3,(H,13,14);4-7H,1-3H3,(H,12,13);4-6,12H,1-3H3;2*3-6,10H,1-2H3;3-6H,1-2H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);5-6H,1-4H3,(H2,11,12);3-5H,12H2,1-2H3;3-5,12H,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H2,11,12);3-5H,1-2H3,(H,11,12,13);4-5H,11H2,1-3H3;3-6H,11H2,1-2H3;4-6H,1-3H3,(H2,10,11);4-6H,10H2,1-3H3;3-4H,1-2H3,(H2,11,12);3-5H,1-2H3,(H2,10,11);3-6H,1-2H3,(H2,9,10)
InChIKeyBWMHPVKXYOJCKO-UHFFFAOYSA-N
XLogP66.59
TPSA655.08 Ų
H-Bond Donors18
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004237.86
LogP ≤ 566.59
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1032

Analyze 4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine 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 4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine (CID 164961296) is 4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine is CC(C)c1c(F)ccc2[nH]cnc12.CC(C)c1c(F)ccc2c1C(=O)CC=C2.CC(C)c1c(F)ccc2c1C(=O)NC2.CC(C)c1c(F)ccc2n[nH]nc12.CC(C)c1c(F)cccc1OC(F)F.CC(C)c1c(F)ccnc1N.CC(C)c1c(N)ccc(Cl)c1F.CC(C)c1c(N)cccc1F.CC(C)c1c(N)ncc(Cl)c1F.CC(C)c1c(O)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1F.CC(C)c1cc(OC(F)F)ccc1F.CC(C)c1cccnc1N.Cc1c(Cl)ccc(O)c1C(C)C.Cc1c(Cl)cnc(N)c1C(C)C.Cc1cc(N)c(C(C)C)c(C)n1.Cc1ccc(F)c(C(C)C)c1.Cc1ccc(N)c(C(C)C)n1.Cc1ccc2[nH]cnc2c1C(C)C.Cc1ccc2c(c1C(C)C)C(=O)CC=C2.Cc1ccc2c(c1C(C)C)C(=O)NC2.Cc1ccc2n[nH]nc2c1C(C)C.Cc1ncc(N)c(C(C)C)c1F.Cc1nccc(N)c1C(C)C.
What is the InChIKey of 4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine?
The InChIKey is BWMHPVKXYOJCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C13H13FO.C12H15NO.C11H12FNO.C11H14N2.C10H13ClO.2C10H11F3O.C10H11FN2.C10H13F.C10H13N3.C10H16N2.C9H11ClFN.C9H10ClFO.C9H10ClF.C9H13ClN2.C9H10FN3.C9H13FN2.C9H12FN.2C9H14N2.C8H10ClFN2.C8H11FN2.C8H12N2/c1-9(2)13-10(3)7-8-11-5-4-6-12(15)14(11)13;1-8(2)12-10(14)7-6-9-4-3-5-11(15)13(9)12;1-7(2)10-8(3)4-5-9-6-13-12(14)11(9)10;1-6(2)9-8(12)4-3-7-5-13-11(14)10(7)9;1-7(2)10-8(3)4-5-9-11(10)13-6-12-9;1-6(2)10-7(3)8(11)4-5-9(10)12;1-6(2)8-5-7(14-10(12)13)3-4-9(8)11;1-6(2)9-7(11)4-3-5-8(9)14-10(12)13;1-6(2)9-7(11)3-4-8-10(9)13-5-12-8;1-7(2)9-6-8(3)4-5-10(9)11;1-6(2)9-7(3)4-5-8-10(9)12-13-11-8;1-6(2)10-8(4)12-7(3)5-9(10)11;2*1-5(2)8-7(12)4-3-6(10)9(8)11;1-6(2)8-5-7(10)3-4-9(8)11;1-5(2)8-6(3)7(10)4-12-9(8)11;1-5(2)8-6(10)3-4-7-9(8)12-13-11-7;1-5(2)8-7(11)4-12-6(3)9(8)10;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)11-5-4-8(9)10;1-6(2)9-8(10)5-4-7(3)11-9;1-4(2)6-7(10)5(9)3-12-8(6)11;1-5(2)7-6(9)3-4-11-8(7)10;1-6(2)7-4-3-5-10-8(7)9/h4-5,7-9H,6H2,1-3H3;3-4,6-8H,5H2,1-2H3;4-5,7H,6H2,1-3H3,(H,13,14);3-4,6H,5H2,1-2H3,(H,13,14);4-7H,1-3H3,(H,12,13);4-6,12H,1-3H3;2*3-6,10H,1-2H3;3-6H,1-2H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);5-6H,1-4H3,(H2,11,12);3-5H,12H2,1-2H3;3-5,12H,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H2,11,12);3-5H,1-2H3,(H,11,12,13);4-5H,11H2,1-3H3;3-6H,11H2,1-2H3;4-6H,1-3H3,(H2,10,11);4-6H,10H2,1-3H3;3-4H,1-2H3,(H2,11,12);3-5H,1-2H3,(H2,10,11);3-6H,1-2H3,(H2,9,10).
What are the key properties of 4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine?
4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine has a molecular weight of 4237.86 g/mol, XLogP of 66.59, 28 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-2-propan-2-ylaniline;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-3-fluoro-2-propan-2-ylphenol;5-chloro-4-fluoro-3-propan-2-ylpyridin-2-amine;4-chloro-3-methyl-2-propan-2-ylphenol;5-chloro-4-methyl-3-propan-2-ylpyridin-2-amine;1-(difluoromethoxy)-3-fluoro-2-propan-2-ylbenzene;4-(difluoromethoxy)-1-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridin-4-amine;1-fluoro-4-methyl-2-propan-2-ylbenzene;5-fluoro-6-methyl-4-propan-2-ylpyridin-3-amine;3-fluoro-2-propan-2-ylaniline;5-fluoro-4-propan-2-yl-1H-benzimidazole;5-fluoro-4-propan-2-yl-2H-benzotriazole;6-fluoro-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-fluoro-8-propan-2-yl-2H-naphthalen-1-one;4-fluoro-3-propan-2-ylpyridin-2-amine;5-methyl-4-propan-2-yl-1H-benzimidazole;5-methyl-4-propan-2-yl-2H-benzotriazole;6-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one;7-methyl-8-propan-2-yl-2H-naphthalen-1-one;2-methyl-3-propan-2-ylpyridin-4-amine;6-methyl-2-propan-2-ylpyridin-3-amine;3-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 164961296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).