(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine

C182H272F12N12O12 — CID 159365436

IUPAC(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine
SMILESCC(C)(C)c1ccc(F)cc1O[C@@H]1CCN(CC(F)(F)F)C1.CC(C)(C)c1ccc(F)cc1O[C@H]1CCN(C2CCOCC2)C1.CC(C)(C)c1ccc(F)cc1O[C@H]1CCNC1.CC(C)N1CCC(COc2ccccc2C(C)(C)C)C1.CC(C)N1CCC(Oc2cc(F)ccc2C(C)(C)C)CC1.CC(C)N1CC[C@@H](Oc2cc(F)ccc2C(C)(C)C)C1.CC(C)N1CC[C@H](Oc2cc(F)ccc2C(C)(C)C)C1.CC(C)c1ccc(F)cc1O[C@@H]1CCN(C2COC2)C1.CN(C)C1CCN(c2ccccc2C(C)(C)C)CC1.CN1CC[C@@H](Oc2cc(F)ccc2C(C)(C)C)C1.CN1CC[C@H](Oc2cc(F)ccc2C(C)(C)C)C1
InChIInChI=1S/C19H28FNO2.C18H28FNO.C18H29NO.2C17H26FNO.C17H28N2.C16H21F4NO.C16H22FNO2.2C15H22FNO.C14H20FNO/c1-19(2,3)17-5-4-14(20)12-18(17)23-16-6-9-21(13-16)15-7-10-22-11-8-15;1-13(2)20-10-8-15(9-11-20)21-17-12-14(19)6-7-16(17)18(3,4)5;1-14(2)19-11-10-15(12-19)13-20-17-9-7-6-8-16(17)18(3,4)5;2*1-12(2)19-9-8-14(11-19)20-16-10-13(18)6-7-15(16)17(3,4)5;1-17(2,3)15-8-6-7-9-16(15)19-12-10-14(11-13-19)18(4)5;1-15(2,3)13-5-4-11(17)8-14(13)22-12-6-7-21(9-12)10-16(18,19)20;1-11(2)15-4-3-12(17)7-16(15)20-14-5-6-18(8-14)13-9-19-10-13;2*1-15(2,3)13-6-5-11(16)9-14(13)18-12-7-8-17(4)10-12;1-14(2,3)12-5-4-10(15)8-13(12)17-11-6-7-16-9-11/h4-5,12,15-16H,6-11,13H2,1-3H3;6-7,12-13,15H,8-11H2,1-5H3;6-9,14-15H,10-13H2,1-5H3;2*6-7,10,12,14H,8-9,11H2,1-5H3;6-9,14H,10-13H2,1-5H3;4-5,8,12H,6-7,9-10H2,1-3H3;3-4,7,11,13-14H,5-6,8-10H2,1-2H3;2*5-6,9,12H,7-8,10H2,1-4H3;4-5,8,11,16H,6-7,9H2,1-3H3/t16-;;;2*14-;;12-;14-;2*12-;11-/m0..10.11100/s1
InChIKeyLJBKYOZEFAWZRD-CLGFIWNNSA-N
MW3048.23 g/mol
LogP39.92
Rot. Bonds31

About (3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine

(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine (PubChem CID 159365436) has the molecular formula C182H272F12N12O12 and a molecular weight of 3048.23 g/mol. Its IUPAC name is (3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine
PubChem CID159365436
Molecular FormulaC182H272F12N12O12
Molecular Weight3048.23 g/mol
Exact Mass3046.09
IUPAC Name(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine
SMILESCC(C)(C)c1ccc(F)cc1O[C@@H]1CCN(CC(F)(F)F)C1.CC(C)(C)c1ccc(F)cc1O[C@H]1CCN(C2CCOCC2)C1.CC(C)(C)c1ccc(F)cc1O[C@H]1CCNC1.CC(C)N1CCC(COc2ccccc2C(C)(C)C)C1.CC(C)N1CCC(Oc2cc(F)ccc2C(C)(C)C)CC1.CC(C)N1CC[C@@H](Oc2cc(F)ccc2C(C)(C)C)C1.CC(C)N1CC[C@H](Oc2cc(F)ccc2C(C)(C)C)C1.CC(C)c1ccc(F)cc1O[C@@H]1CCN(C2COC2)C1.CN(C)C1CCN(c2ccccc2C(C)(C)C)CC1.CN1CC[C@@H](Oc2cc(F)ccc2C(C)(C)C)C1.CN1CC[C@H](Oc2cc(F)ccc2C(C)(C)C)C1
InChIInChI=1S/C19H28FNO2.C18H28FNO.C18H29NO.2C17H26FNO.C17H28N2.C16H21F4NO.C16H22FNO2.2C15H22FNO.C14H20FNO/c1-19(2,3)17-5-4-14(20)12-18(17)23-16-6-9-21(13-16)15-7-10-22-11-8-15;1-13(2)20-10-8-15(9-11-20)21-17-12-14(19)6-7-16(17)18(3,4)5;1-14(2)19-11-10-15(12-19)13-20-17-9-7-6-8-16(17)18(3,4)5;2*1-12(2)19-9-8-14(11-19)20-16-10-13(18)6-7-15(16)17(3,4)5;1-17(2,3)15-8-6-7-9-16(15)19-12-10-14(11-13-19)18(4)5;1-15(2,3)13-5-4-11(17)8-14(13)22-12-6-7-21(9-12)10-16(18,19)20;1-11(2)15-4-3-12(17)7-16(15)20-14-5-6-18(8-14)13-9-19-10-13;2*1-15(2,3)13-6-5-11(16)9-14(13)18-12-7-8-17(4)10-12;1-14(2,3)12-5-4-10(15)8-13(12)17-11-6-7-16-9-11/h4-5,12,15-16H,6-11,13H2,1-3H3;6-7,12-13,15H,8-11H2,1-5H3;6-9,14-15H,10-13H2,1-5H3;2*6-7,10,12,14H,8-9,11H2,1-5H3;6-9,14H,10-13H2,1-5H3;4-5,8,12H,6-7,9-10H2,1-3H3;3-4,7,11,13-14H,5-6,8-10H2,1-2H3;2*5-6,9,12H,7-8,10H2,1-4H3;4-5,8,11,16H,6-7,9H2,1-3H3/t16-;;;2*14-;;12-;14-;2*12-;11-/m0..10.11100/s1
InChIKeyLJBKYOZEFAWZRD-CLGFIWNNSA-N
XLogP39.92
TPSA158.43 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003048.23
LogP ≤ 539.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze (3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine with MolForge

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Related Compounds

4-[2-(3-tert-butylphenoxy)ethyl]morpholine;3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(3-tert-butylphenyl)-N,1-dimethylpiperidin-4-amine;N-(3-tert-butylphenyl)-N,1-dimethylpyrrolidin-3-amine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 157578193
N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;2-methyl-N-(4-propan-2-ylphenyl)oxolan-3-amine;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine
CID 158018354
3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 158690947
N-cyclobutyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;2-methyl-N-(4-propan-2-ylphenyl)oxolan-3-amine;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine
CID 158951320
4-[2-(3-tert-butylphenoxy)ethyl]morpholine;3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(3-tert-butylphenyl)-N,1-dimethylpiperidin-4-amine;N-(3-tert-butylphenyl)-N,1-dimethylpyrrolidin-3-amine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine
CID 159400809
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 159508872
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 160000721
4-[2-(3-tert-butylphenoxy)ethyl]morpholine;3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(3-tert-butylphenyl)-N,1-dimethylpyrrolidin-3-amine;N-(4-tert-butylphenyl)piperidin-4-amine
CID 160176983
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 161498900
Tris(1'-[[5-[(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)methyl]naphthalen-1-yl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole]);ethane;methanamine;methoxymethane;hexakis(1,1,1-trifluoroethane)
CID 161518627
N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine
CID 162159230
bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;4-(5-tert-butyl-2-fluorophenyl)morpholine;5-tert-butyl-2-fluoro-N-propylaniline
CID 160177798

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine?
The IUPAC name of (3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine (CID 159365436) is (3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine.
What is the SMILES notation for (3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine?
The canonical SMILES for (3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine is CC(C)(C)c1ccc(F)cc1O[C@@H]1CCN(CC(F)(F)F)C1.CC(C)(C)c1ccc(F)cc1O[C@H]1CCN(C2CCOCC2)C1.CC(C)(C)c1ccc(F)cc1O[C@H]1CCNC1.CC(C)N1CCC(COc2ccccc2C(C)(C)C)C1.CC(C)N1CCC(Oc2cc(F)ccc2C(C)(C)C)CC1.CC(C)N1CC[C@@H](Oc2cc(F)ccc2C(C)(C)C)C1.CC(C)N1CC[C@H](Oc2cc(F)ccc2C(C)(C)C)C1.CC(C)c1ccc(F)cc1O[C@@H]1CCN(C2COC2)C1.CN(C)C1CCN(c2ccccc2C(C)(C)C)CC1.CN1CC[C@@H](Oc2cc(F)ccc2C(C)(C)C)C1.CN1CC[C@H](Oc2cc(F)ccc2C(C)(C)C)C1.
What is the InChIKey of (3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine?
The InChIKey is LJBKYOZEFAWZRD-CLGFIWNNSA-N. The full InChI is InChI=1S/C19H28FNO2.C18H28FNO.C18H29NO.2C17H26FNO.C17H28N2.C16H21F4NO.C16H22FNO2.2C15H22FNO.C14H20FNO/c1-19(2,3)17-5-4-14(20)12-18(17)23-16-6-9-21(13-16)15-7-10-22-11-8-15;1-13(2)20-10-8-15(9-11-20)21-17-12-14(19)6-7-16(17)18(3,4)5;1-14(2)19-11-10-15(12-19)13-20-17-9-7-6-8-16(17)18(3,4)5;2*1-12(2)19-9-8-14(11-19)20-16-10-13(18)6-7-15(16)17(3,4)5;1-17(2,3)15-8-6-7-9-16(15)19-12-10-14(11-13-19)18(4)5;1-15(2,3)13-5-4-11(17)8-14(13)22-12-6-7-21(9-12)10-16(18,19)20;1-11(2)15-4-3-12(17)7-16(15)20-14-5-6-18(8-14)13-9-19-10-13;2*1-15(2,3)13-6-5-11(16)9-14(13)18-12-7-8-17(4)10-12;1-14(2,3)12-5-4-10(15)8-13(12)17-11-6-7-16-9-11/h4-5,12,15-16H,6-11,13H2,1-3H3;6-7,12-13,15H,8-11H2,1-5H3;6-9,14-15H,10-13H2,1-5H3;2*6-7,10,12,14H,8-9,11H2,1-5H3;6-9,14H,10-13H2,1-5H3;4-5,8,12H,6-7,9-10H2,1-3H3;3-4,7,11,13-14H,5-6,8-10H2,1-2H3;2*5-6,9,12H,7-8,10H2,1-4H3;4-5,8,11,16H,6-7,9H2,1-3H3/t16-;;;2*14-;;12-;14-;2*12-;11-/m0..10.11100/s1.
What are the key properties of (3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine?
(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine has a molecular weight of 3048.23 g/mol, XLogP of 39.92, 31 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine is sourced from PubChem (CID 159365436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).