3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane

C245H354ClF2N33O4 — CID 159913732

IUPAC3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane
SMILESC.C.C.C.C.C.CC(C)(C)c1cc(F)c2c(N)noc2c1.CC(C)(C)c1ccc(N)nc1F.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1cnc(N)nc1.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)N=CC2.CC1=NCc2ccc(C(C)(C)C)cc21.CC1=NCc2ccc(C(C)(C)C)cc21.COc1cc(N)ncc1C(C)(C)C.COc1ncc(C(C)(C)C)cc1N.Cc1[nH]nc2cc(C(C)(C)C)ccc12.Cc1[nH]nc2cc(C(C)(C)C)ccc12.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)c1.Cc1nc(C(C)(C)C)cnc1N
InChIInChI=1S/2C13H17N.2C12H16N2.2C12H15N.C12H17N.2C12H15N.C12H14O.C11H13FN2O.C11H14N2.2C10H16N2O.4C10H15N.C9H13ClN2.C9H13FN2.C9H15N3.C8H13N3.6CH4/c2*1-9-12-7-11(13(2,3)4)6-5-10(12)8-14-9;2*1-8-10-6-5-9(12(2,3)4)7-11(10)14-13-8;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;3*1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)6-4-7(12)9-8(5-6)15-14-10(9)13;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-10(2,3)7-6-12-9(11)5-8(7)13-4;1-10(2,3)7-5-8(11)9(13-4)12-6-7;1-8-5-9(7-11-6-8)10(2,3)4;2*1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-9(2,3)6-4-7(10)8(11)12-5-6;1-9(2,3)6-4-5-7(11)12-8(6)10;1-6-8(10)11-5-7(12-6)9(2,3)4;1-8(2,3)6-4-10-7(9)11-5-6;;;;;;/h2*5-7H,8H2,1-4H3;2*5-7H,1-4H3,(H,13,14);2*4-8,13H,1-3H3;7-8H,4-6H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;4-5H,1-3H3,(H2,13,14);5-7H,4H2,1-3H3;5-6H,1-4H3,(H2,11,12);5-6H,11H2,1-4H3;3*5-7H,1-4H3;4-7H,11H2,1-3H3;2*4-5H,1-3H3,(H2,11,12);5H,1-4H3,(H2,10,11);4-5H,1-3H3,(H2,9,10,11);6*1H4
InChIKeyNXMVVKFWLMOIQI-UHFFFAOYSA-N
MW3899.20 g/mol
LogP63.98
Rot. Bonds2

About 3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane

3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane (PubChem CID 159913732) has the molecular formula C245H354ClF2N33O4 and a molecular weight of 3899.20 g/mol. Its IUPAC name is 3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane.

Molecular Properties

Compound Name3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane
PubChem CID159913732
Molecular FormulaC245H354ClF2N33O4
Molecular Weight3899.20 g/mol
Exact Mass3895.82
IUPAC Name3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane
SMILESC.C.C.C.C.C.CC(C)(C)c1cc(F)c2c(N)noc2c1.CC(C)(C)c1ccc(N)nc1F.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1cnc(N)nc1.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)N=CC2.CC1=NCc2ccc(C(C)(C)C)cc21.CC1=NCc2ccc(C(C)(C)C)cc21.COc1cc(N)ncc1C(C)(C)C.COc1ncc(C(C)(C)C)cc1N.Cc1[nH]nc2cc(C(C)(C)C)ccc12.Cc1[nH]nc2cc(C(C)(C)C)ccc12.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)c1.Cc1nc(C(C)(C)C)cnc1N
InChIInChI=1S/2C13H17N.2C12H16N2.2C12H15N.C12H17N.2C12H15N.C12H14O.C11H13FN2O.C11H14N2.2C10H16N2O.4C10H15N.C9H13ClN2.C9H13FN2.C9H15N3.C8H13N3.6CH4/c2*1-9-12-7-11(13(2,3)4)6-5-10(12)8-14-9;2*1-8-10-6-5-9(12(2,3)4)7-11(10)14-13-8;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;3*1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)6-4-7(12)9-8(5-6)15-14-10(9)13;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-10(2,3)7-6-12-9(11)5-8(7)13-4;1-10(2,3)7-5-8(11)9(13-4)12-6-7;1-8-5-9(7-11-6-8)10(2,3)4;2*1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-9(2,3)6-4-7(10)8(11)12-5-6;1-9(2,3)6-4-5-7(11)12-8(6)10;1-6-8(10)11-5-7(12-6)9(2,3)4;1-8(2,3)6-4-10-7(9)11-5-6;;;;;;/h2*5-7H,8H2,1-4H3;2*5-7H,1-4H3,(H,13,14);2*4-8,13H,1-3H3;7-8H,4-6H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;4-5H,1-3H3,(H2,13,14);5-7H,4H2,1-3H3;5-6H,1-4H3,(H2,11,12);5-6H,11H2,1-4H3;3*5-7H,1-4H3;4-7H,11H2,1-3H3;2*4-5H,1-3H3,(H2,11,12);5H,1-4H3,(H2,10,11);4-5H,1-3H3,(H2,9,10,11);6*1H4
InChIKeyNXMVVKFWLMOIQI-UHFFFAOYSA-N
XLogP63.98
TPSA585.16 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds2
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003899.20
LogP ≤ 563.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane with MolForge

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Launch Full Analysis

Related Compounds

3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-6-methyl-1,2-benzoxazole;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-1,2-benzoxazole;2-methyl-2-[3-[[6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
CID 157372870
N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-pentan-3-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-pentan-3-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 161331815
3-tert-butyl-2-chloro-6-(trifluoromethyl)pyridine;5-tert-butyl-2-ethoxy-3-fluoropyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-6-fluoro-1H-pyridin-2-one;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine;2,4-ditert-butyl-6-fluoropyridine
CID 161956087
3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
CID 157181921
CID 157643257
CID 157643257
3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane
CID 157844288
6-tert-butyl-1-benzofuran-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1-benzofuran;6-tert-butyl-3-chloro-1H-indole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;5-tert-butylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 157999728
6-tert-butyl-1-benzofuran;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;6-tert-butyl-1H-indole;7-tert-butylindolizine;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;1-(2,2-dimethylpropyl)indazole
CID 158101082
4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine
CID 158154147
6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane
CID 158174824
4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 158274704
5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine;methane
CID 158442643

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane?
The IUPAC name of 3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane (CID 159913732) is 3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane.
What is the SMILES notation for 3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane?
The canonical SMILES for 3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane is C.C.C.C.C.C.CC(C)(C)c1cc(F)c2c(N)noc2c1.CC(C)(C)c1ccc(N)nc1F.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1cnc(N)nc1.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)N=CC2.CC1=NCc2ccc(C(C)(C)C)cc21.CC1=NCc2ccc(C(C)(C)C)cc21.COc1cc(N)ncc1C(C)(C)C.COc1ncc(C(C)(C)C)cc1N.Cc1[nH]nc2cc(C(C)(C)C)ccc12.Cc1[nH]nc2cc(C(C)(C)C)ccc12.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)c1.Cc1nc(C(C)(C)C)cnc1N.
What is the InChIKey of 3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane?
The InChIKey is NXMVVKFWLMOIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17N.2C12H16N2.2C12H15N.C12H17N.2C12H15N.C12H14O.C11H13FN2O.C11H14N2.2C10H16N2O.4C10H15N.C9H13ClN2.C9H13FN2.C9H15N3.C8H13N3.6CH4/c2*1-9-12-7-11(13(2,3)4)6-5-10(12)8-14-9;2*1-8-10-6-5-9(12(2,3)4)7-11(10)14-13-8;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;3*1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)6-4-7(12)9-8(5-6)15-14-10(9)13;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-10(2,3)7-6-12-9(11)5-8(7)13-4;1-10(2,3)7-5-8(11)9(13-4)12-6-7;1-8-5-9(7-11-6-8)10(2,3)4;2*1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-9(2,3)6-4-7(10)8(11)12-5-6;1-9(2,3)6-4-5-7(11)12-8(6)10;1-6-8(10)11-5-7(12-6)9(2,3)4;1-8(2,3)6-4-10-7(9)11-5-6;;;;;;/h2*5-7H,8H2,1-4H3;2*5-7H,1-4H3,(H,13,14);2*4-8,13H,1-3H3;7-8H,4-6H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;4-5H,1-3H3,(H2,13,14);5-7H,4H2,1-3H3;5-6H,1-4H3,(H2,11,12);5-6H,11H2,1-4H3;3*5-7H,1-4H3;4-7H,11H2,1-3H3;2*4-5H,1-3H3,(H2,11,12);5H,1-4H3,(H2,10,11);4-5H,1-3H3,(H2,9,10,11);6*1H4.
What are the key properties of 3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane?
3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane has a molecular weight of 3899.20 g/mol, XLogP of 63.98, 2 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloropyridin-2-amine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane is sourced from PubChem (CID 159913732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).