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

C144H224F3N13O7 — CID 159400809

IUPAC4-[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
SMILESCC(=O)N1CCC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1cccc(OC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cccc(OCCN2CCOCC2)c1.CC(C)N1CCC(Oc2cccc(C(C)(C)C)c2)C1.CN1CCC(N(C)c2cccc(C(C)(C)C)c2)C1.CN1CCC(N(C)c2cccc(C(C)(C)C)c2)CC1.CN1CCC(Nc2ccc(C(C)(C)C)cc2)CC1.CN1CCC(Oc2cccc(C(C)(C)C)c2)C1
InChIInChI=1S/C17H28N2.C17H27NO.C16H22F3NO.2C16H26N2.C16H23NO2.C16H25NO2.C15H24N2.C15H23NO/c1-17(2,3)14-7-6-8-16(13-14)19(5)15-9-11-18(4)12-10-15;1-13(2)18-10-9-16(12-18)19-15-8-6-7-14(11-15)17(3,4)5;1-15(2,3)12-5-4-6-13(9-12)21-14-7-8-20(10-14)11-16(17,18)19;1-16(2,3)13-7-6-8-14(11-13)18(5)15-9-10-17(4)12-15;1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(4)12-10-15;1-12(18)17-9-8-15(11-17)19-14-7-5-6-13(10-14)16(2,3)4;1-16(2,3)14-5-4-6-15(13-14)19-12-9-17-7-10-18-11-8-17;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)12-6-5-7-13(10-12)17-14-8-9-16(4)11-14/h6-8,13,15H,9-12H2,1-5H3;6-8,11,13,16H,9-10,12H2,1-5H3;4-6,9,14H,7-8,10-11H2,1-3H3;6-8,11,15H,9-10,12H2,1-5H3;5-8,15,17H,9-12H2,1-4H3;5-7,10,15H,8-9,11H2,1-4H3;4-6,13H,7-12H2,1-3H3;4-7,14,16-17H,8-11H2,1-3H3;5-7,10,14H,8-9,11H2,1-4H3
InChIKeyLNHVJJOMIDFCLI-UHFFFAOYSA-N
MW2306.45 g/mol
LogP29.87
Rot. Bonds22

About 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

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 (PubChem CID 159400809) has the molecular formula C144H224F3N13O7 and a molecular weight of 2306.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159400809
Molecular FormulaC144H224F3N13O7
Molecular Weight2306.45 g/mol
Exact Mass2304.75
IUPAC Name4-[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
SMILESCC(=O)N1CCC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1cccc(OC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cccc(OCCN2CCOCC2)c1.CC(C)N1CCC(Oc2cccc(C(C)(C)C)c2)C1.CN1CCC(N(C)c2cccc(C(C)(C)C)c2)C1.CN1CCC(N(C)c2cccc(C(C)(C)C)c2)CC1.CN1CCC(Nc2ccc(C(C)(C)C)cc2)CC1.CN1CCC(Oc2cccc(C(C)(C)C)c2)C1
InChIInChI=1S/C17H28N2.C17H27NO.C16H22F3NO.2C16H26N2.C16H23NO2.C16H25NO2.C15H24N2.C15H23NO/c1-17(2,3)14-7-6-8-16(13-14)19(5)15-9-11-18(4)12-10-15;1-13(2)18-10-9-16(12-18)19-15-8-6-7-14(11-15)17(3,4)5;1-15(2,3)12-5-4-6-13(9-12)21-14-7-8-20(10-14)11-16(17,18)19;1-16(2,3)13-7-6-8-14(11-13)18(5)15-9-10-17(4)12-15;1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(4)12-10-15;1-12(18)17-9-8-15(11-17)19-14-7-5-6-13(10-14)16(2,3)4;1-16(2,3)14-5-4-6-15(13-14)19-12-9-17-7-10-18-11-8-17;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)12-6-5-7-13(10-12)17-14-8-9-16(4)11-14/h6-8,13,15H,9-12H2,1-5H3;6-8,11,13,16H,9-10,12H2,1-5H3;4-6,9,14H,7-8,10-11H2,1-3H3;6-8,11,15H,9-10,12H2,1-5H3;5-8,15,17H,9-12H2,1-4H3;5-7,10,15H,8-9,11H2,1-4H3;4-6,13H,7-12H2,1-3H3;4-7,14,16-17H,8-11H2,1-3H3;5-7,10,14H,8-9,11H2,1-4H3
InChIKeyLNHVJJOMIDFCLI-UHFFFAOYSA-N
XLogP29.87
TPSA140.94 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002306.45
LogP ≤ 529.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;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;methane
CID 157125331
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 157265020
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;4-[(3-tert-butylphenyl)methyl]oxane;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 157306343
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
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-(3-tert-butylphenyl)-1-methylpyrrolidin-3-amine;N-(4-tert-butylphenyl)oxolan-3-amine;N-(4-tert-butylphenyl)piperidin-4-amine;4-[3-(3-tert-butylphenyl)propyl]morpholine;1-(3-tert-butylphenyl)-1,2,4-triazole
CID 157624799
1-tert-butyl-4-(3-methoxypropoxy)benzene;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;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 157627718
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-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;bis(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 158323563
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
CID 158642185
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
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-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 159120647
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;1-[(4-tert-butylphenyl)methyl]piperazine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 159167099
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1cccc(OC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cccc(OCCN2CCOCC2)c1.CC(C)N1CCC(Oc2cccc(C(C)(C)C)c2)C1.CN1CCC(N(C)c2cccc(C(C)(C)C)c2)C1.CN1CCC(N(C)c2cccc(C(C)(C)C)c2)CC1.CN1CCC(Nc2ccc(C(C)(C)C)cc2)CC1.CN1CCC(Oc2cccc(C(C)(C)C)c2)C1.
What is the InChIKey of 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?
The InChIKey is LNHVJJOMIDFCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C17H27NO.C16H22F3NO.2C16H26N2.C16H23NO2.C16H25NO2.C15H24N2.C15H23NO/c1-17(2,3)14-7-6-8-16(13-14)19(5)15-9-11-18(4)12-10-15;1-13(2)18-10-9-16(12-18)19-15-8-6-7-14(11-15)17(3,4)5;1-15(2,3)12-5-4-6-13(9-12)21-14-7-8-20(10-14)11-16(17,18)19;1-16(2,3)13-7-6-8-14(11-13)18(5)15-9-10-17(4)12-15;1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(4)12-10-15;1-12(18)17-9-8-15(11-17)19-14-7-5-6-13(10-14)16(2,3)4;1-16(2,3)14-5-4-6-15(13-14)19-12-9-17-7-10-18-11-8-17;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)12-6-5-7-13(10-12)17-14-8-9-16(4)11-14/h6-8,13,15H,9-12H2,1-5H3;6-8,11,13,16H,9-10,12H2,1-5H3;4-6,9,14H,7-8,10-11H2,1-3H3;6-8,11,15H,9-10,12H2,1-5H3;5-8,15,17H,9-12H2,1-4H3;5-7,10,15H,8-9,11H2,1-4H3;4-6,13H,7-12H2,1-3H3;4-7,14,16-17H,8-11H2,1-3H3;5-7,10,14H,8-9,11H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2306.45 g/mol, XLogP of 29.87, 22 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159400809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).