4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine

C172H260ClF11N15O6P — CID 157329775

IUPAC4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine
SMILESCC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCOCC2)c(Cl)c1.CC(C)(C)c1ccc(N2CCN(CCP(C)(C)=O)CC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)Oc1c(F)cccc1C(C)(C)C.CC1CN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CCN1.CCN1CCCC1CNC(=O)c1ccc(C(C)(C)C)cc1.CN1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CN1CCN(C2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C21H28O.C20H33N3.C18H26F4N2.C18H27F3N2.C18H31N2OP.C18H28N2O.C17H25F3N2.C15H22ClNO.C14H21NO.C13H19FO/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-20(2,3)17-5-7-18(8-6-17)22-11-9-19(10-12-22)23-15-13-21(4)14-16-23;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)15-7-6-14(16(12-15)18(19,20)21)13-23-9-5-8-22(4)10-11-23;1-18(2,3)16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-22(4,5)21;1-5-20-12-6-7-16(20)13-19-17(21)14-8-10-15(11-9-14)18(2,3)4;1-12-10-22(8-7-21-12)11-13-5-6-14(16(2,3)4)9-15(13)17(18,19)20;1-15(2,3)13-5-4-12(14(16)10-13)11-17-6-8-18-9-7-17;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-9(2)15-12-10(13(3,4)5)7-6-8-11(12)14/h7-13,15H,14H2,1-6H3;5-8,19H,9-16H2,1-4H3;4-5,12H,6-11,13H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;6-9H,10-15H2,1-5H3;8-11,16H,5-7,12-13H2,1-4H3,(H,19,21);5-6,9,12,21H,7-8,10-11H2,1-4H3;4-5,10H,6-9,11H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,1-5H3
InChIKeyBFDOFDBMDKYWGV-UHFFFAOYSA-N
MW2909.48 g/mol
LogP38.35
Rot. Bonds27

About 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine

4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine (PubChem CID 157329775) has the molecular formula C172H260ClF11N15O6P and a molecular weight of 2909.48 g/mol. Its IUPAC name is 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine.

Molecular Properties

Compound Name4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine
PubChem CID157329775
Molecular FormulaC172H260ClF11N15O6P
Molecular Weight2909.48 g/mol
Exact Mass2906.98
IUPAC Name4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine
SMILESCC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCOCC2)c(Cl)c1.CC(C)(C)c1ccc(N2CCN(CCP(C)(C)=O)CC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)Oc1c(F)cccc1C(C)(C)C.CC1CN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CCN1.CCN1CCCC1CNC(=O)c1ccc(C(C)(C)C)cc1.CN1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CN1CCN(C2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C21H28O.C20H33N3.C18H26F4N2.C18H27F3N2.C18H31N2OP.C18H28N2O.C17H25F3N2.C15H22ClNO.C14H21NO.C13H19FO/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-20(2,3)17-5-7-18(8-6-17)22-11-9-19(10-12-22)23-15-13-21(4)14-16-23;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)15-7-6-14(16(12-15)18(19,20)21)13-23-9-5-8-22(4)10-11-23;1-18(2,3)16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-22(4,5)21;1-5-20-12-6-7-16(20)13-19-17(21)14-8-10-15(11-9-14)18(2,3)4;1-12-10-22(8-7-21-12)11-13-5-6-14(16(2,3)4)9-15(13)17(18,19)20;1-15(2,3)13-5-4-12(14(16)10-13)11-17-6-8-18-9-7-17;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-9(2)15-12-10(13(3,4)5)7-6-8-11(12)14/h7-13,15H,14H2,1-6H3;5-8,19H,9-16H2,1-4H3;4-5,12H,6-11,13H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;6-9H,10-15H2,1-5H3;8-11,16H,5-7,12-13H2,1-4H3,(H,19,21);5-6,9,12,21H,7-8,10-11H2,1-4H3;4-5,10H,6-9,11H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,1-5H3
InChIKeyBFDOFDBMDKYWGV-UHFFFAOYSA-N
XLogP38.35
TPSA137.24 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002909.48
LogP ≤ 538.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine with MolForge

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Related Compounds

1-[(4-tert-butyl-2-chlorophenyl)methyl]-4-methyl-1,4-diazepane;4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;(5-tert-butyl-2-fluorophenyl)-pyrrolidin-1-ylmethanone;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;N-(3-tert-butylphenyl)methanesulfonamide;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine;N-(2-hydroxyethyl)-2-propan-2-ylbenzamide
CID 158808618
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 159053491
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-(5-tert-butyl-2-fluorophenyl)-2-phenylethanone;(5-tert-butyl-2-fluorophenyl)-pyrrolidin-1-ylmethanone;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;N-(3-tert-butylphenyl)methanesulfonamide;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine;fluoromethane;N-(2-hydroxyethyl)-2-propan-2-ylbenzamide
CID 159136192
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 160968356
4-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidine;N-(2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine-1-carboxamide;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidine;4-(3-methoxy-4-propan-2-ylphenyl)-1-methylpiperidine;2-methyl-N-(1-methylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 160669937

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine?
The IUPAC name of 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine (CID 157329775) is 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine.
What is the SMILES notation for 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine?
The canonical SMILES for 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine is CC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCOCC2)c(Cl)c1.CC(C)(C)c1ccc(N2CCN(CCP(C)(C)=O)CC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)Oc1c(F)cccc1C(C)(C)C.CC1CN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CCN1.CCN1CCCC1CNC(=O)c1ccc(C(C)(C)C)cc1.CN1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CN1CCN(C2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1.
What is the InChIKey of 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine?
The InChIKey is BFDOFDBMDKYWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O.C20H33N3.C18H26F4N2.C18H27F3N2.C18H31N2OP.C18H28N2O.C17H25F3N2.C15H22ClNO.C14H21NO.C13H19FO/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-20(2,3)17-5-7-18(8-6-17)22-11-9-19(10-12-22)23-15-13-21(4)14-16-23;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)15-7-6-14(16(12-15)18(19,20)21)13-23-9-5-8-22(4)10-11-23;1-18(2,3)16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-22(4,5)21;1-5-20-12-6-7-16(20)13-19-17(21)14-8-10-15(11-9-14)18(2,3)4;1-12-10-22(8-7-21-12)11-13-5-6-14(16(2,3)4)9-15(13)17(18,19)20;1-15(2,3)13-5-4-12(14(16)10-13)11-17-6-8-18-9-7-17;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-9(2)15-12-10(13(3,4)5)7-6-8-11(12)14/h7-13,15H,14H2,1-6H3;5-8,19H,9-16H2,1-4H3;4-5,12H,6-11,13H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;6-9H,10-15H2,1-5H3;8-11,16H,5-7,12-13H2,1-4H3,(H,19,21);5-6,9,12,21H,7-8,10-11H2,1-4H3;4-5,10H,6-9,11H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,1-5H3.
What are the key properties of 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine?
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine has a molecular weight of 2909.48 g/mol, XLogP of 38.35, 27 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine is sourced from PubChem (CID 157329775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).