2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene

C181H278F3N13O5S — CID 160698116

IUPAC2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
SMILESCC(C)(C)c1ccc(CCN2CCCC2)cc1.CC(C)(C)c1ccc(CN2CCCC2)cc1.CC(C)(C)c1ccc(CNC2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCN(C3CC3)CC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(OCCN2CCCC2)cc1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(c2cccc(C(C)(C)C)c2)CC1.COc1cccc(C(C)(C)C)c1.Cn1cccc1C(C)(C)C
InChIInChI=1S/C17H26N2.C17H27N.C16H26N2.C16H25NO.C16H25N.C15H24N2.C15H23N.C14H21NO.C11H13F3O.C11H16O.C9H15N.C8H13N.C8H12O.C8H12S/c1-17(2,3)14-4-6-15(7-5-14)18-10-12-19(13-11-18)16-8-9-16;1-17(2,3)15-11-9-14(10-12-15)13-18-16-7-5-4-6-8-16;1-16(2,3)15-7-5-6-14(12-15)13-18-10-8-17(4)9-11-18;1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17;1-16(2,3)15-8-6-14(7-9-15)10-13-17-11-4-5-12-17;1-15(2,3)13-6-5-7-14(12-13)17-10-8-16(4)9-11-17;1-15(2,3)14-8-6-13(7-9-14)12-16-10-4-5-11-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9(2,3)8-6-5-7-10(8)4;3*1-8(2,3)7-5-4-6-9-7/h4-7,16H,8-13H2,1-3H3;9-12,16,18H,4-8,13H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;6-9H,4-5,10-13H2,1-3H3;6-9H,4-5,10-13H2,1-3H3;5-7,12H,8-11H2,1-4H3;6-9H,4-5,10-12H2,1-3H3;4-7H,8-11H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-6,9H,1-3H3;2*4-6H,1-3H3
InChIKeyRQGIVALMSQPZGD-UHFFFAOYSA-N
MW2805.36 g/mol
LogP43.76
Rot. Bonds20

About 2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene

2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene (PubChem CID 160698116) has the molecular formula C181H278F3N13O5S and a molecular weight of 2805.36 g/mol. Its IUPAC name is 2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
PubChem CID160698116
Molecular FormulaC181H278F3N13O5S
Molecular Weight2805.36 g/mol
Exact Mass2803.16
IUPAC Name2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
SMILESCC(C)(C)c1ccc(CCN2CCCC2)cc1.CC(C)(C)c1ccc(CN2CCCC2)cc1.CC(C)(C)c1ccc(CNC2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCN(C3CC3)CC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(OCCN2CCCC2)cc1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(c2cccc(C(C)(C)C)c2)CC1.COc1cccc(C(C)(C)C)c1.Cn1cccc1C(C)(C)C
InChIInChI=1S/C17H26N2.C17H27N.C16H26N2.C16H25NO.C16H25N.C15H24N2.C15H23N.C14H21NO.C11H13F3O.C11H16O.C9H15N.C8H13N.C8H12O.C8H12S/c1-17(2,3)14-4-6-15(7-5-14)18-10-12-19(13-11-18)16-8-9-16;1-17(2,3)15-11-9-14(10-12-15)13-18-16-7-5-4-6-8-16;1-16(2,3)15-7-5-6-14(12-15)13-18-10-8-17(4)9-11-18;1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17;1-16(2,3)15-8-6-14(7-9-15)10-13-17-11-4-5-12-17;1-15(2,3)13-6-5-7-14(12-13)17-10-8-16(4)9-11-17;1-15(2,3)14-8-6-13(7-9-14)12-16-10-4-5-11-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9(2,3)8-6-5-7-10(8)4;3*1-8(2,3)7-5-4-6-9-7/h4-7,16H,8-13H2,1-3H3;9-12,16,18H,4-8,13H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;6-9H,4-5,10-13H2,1-3H3;6-9H,4-5,10-13H2,1-3H3;5-7,12H,8-11H2,1-4H3;6-9H,4-5,10-12H2,1-3H3;4-7H,8-11H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-6,9H,1-3H3;2*4-6H,1-3H3
InChIKeyRQGIVALMSQPZGD-UHFFFAOYSA-N
XLogP43.76
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002805.36
LogP ≤ 543.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene with MolForge

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Related Compounds

4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
CID 159644134
1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butylfuran;4-[(5-tert-butylfuran-2-yl)methyl]morpholine;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-methylpyrrole;1-tert-butyl-3-phenoxybenzene;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160589131
1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene
CID 161390204
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157342503
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;N-ethyl-4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane
CID 157563357
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157679396
5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158590226
2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole
CID 159148643
2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;bis(4,5-ditert-butyl-2,3-dihydro-1H-indole);tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole
CID 159287507
2-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;N-ethyl-4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 159632114
2-[2-Amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone
CID 159778910

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene (CID 160698116) is 2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene is CC(C)(C)c1ccc(CCN2CCCC2)cc1.CC(C)(C)c1ccc(CN2CCCC2)cc1.CC(C)(C)c1ccc(CNC2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCN(C3CC3)CC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(OCCN2CCCC2)cc1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(c2cccc(C(C)(C)C)c2)CC1.COc1cccc(C(C)(C)C)c1.Cn1cccc1C(C)(C)C.
What is the InChIKey of 2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene?
The InChIKey is RQGIVALMSQPZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.C17H27N.C16H26N2.C16H25NO.C16H25N.C15H24N2.C15H23N.C14H21NO.C11H13F3O.C11H16O.C9H15N.C8H13N.C8H12O.C8H12S/c1-17(2,3)14-4-6-15(7-5-14)18-10-12-19(13-11-18)16-8-9-16;1-17(2,3)15-11-9-14(10-12-15)13-18-16-7-5-4-6-8-16;1-16(2,3)15-7-5-6-14(12-15)13-18-10-8-17(4)9-11-18;1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17;1-16(2,3)15-8-6-14(7-9-15)10-13-17-11-4-5-12-17;1-15(2,3)13-6-5-7-14(12-13)17-10-8-16(4)9-11-17;1-15(2,3)14-8-6-13(7-9-14)12-16-10-4-5-11-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9(2,3)8-6-5-7-10(8)4;3*1-8(2,3)7-5-4-6-9-7/h4-7,16H,8-13H2,1-3H3;9-12,16,18H,4-8,13H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;6-9H,4-5,10-13H2,1-3H3;6-9H,4-5,10-13H2,1-3H3;5-7,12H,8-11H2,1-4H3;6-9H,4-5,10-12H2,1-3H3;4-7H,8-11H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-6,9H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene?
2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene has a molecular weight of 2805.36 g/mol, XLogP of 43.76, 20 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 160698116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).