1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine

C161H208F9N9O10 — CID 158993614

IUPAC1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESCC(C)(C)CN1CCN(CCc2ccc(C(F)(F)F)cc2)CC1.CC(C)(C)Cc1ccc(COc2ccc(C(F)(F)F)cc2)cn1.CC(C)(C)Oc1ccc(COc2ccc(C(F)(F)F)cc2)cn1.Cc1ccc(CCc2cc(OC(C)(C)C)ccn2)cc1.Cc1cccc(CCN2CCN(CC(C)(C)C)CC2)c1.Cc1cccc(OCc2ccc(CC(C)(C)C)cc2)c1.Cc1cccc(OCc2ccc(CC(C)(C)C)nc2)c1.Cc1cccc(OCc2ccc(OC(C)(C)C)cc2)c1.Cc1cccc(OCc2ccc(OC(C)(C)C)nc2)c1
InChIInChI=1S/C19H24O.C18H27F3N2.C18H20F3NO.C18H30N2.2C18H23NO.C18H22O2.C17H18F3NO2.C17H21NO2/c1-15-6-5-7-18(12-15)20-14-17-10-8-16(9-11-17)13-19(2,3)4;1-17(2,3)14-23-12-10-22(11-13-23)9-8-15-4-6-16(7-5-15)18(19,20)21;1-17(2,3)10-15-7-4-13(11-22-15)12-23-16-8-5-14(6-9-16)18(19,20)21;1-16-6-5-7-17(14-16)8-9-19-10-12-20(13-11-19)15-18(2,3)4;1-14-5-7-15(8-6-14)9-10-16-13-17(11-12-19-16)20-18(2,3)4;1-14-6-5-7-17(10-14)20-13-15-8-9-16(19-12-15)11-18(2,3)4;1-14-6-5-7-17(12-14)19-13-15-8-10-16(11-9-15)20-18(2,3)4;1-16(2,3)23-15-9-4-12(10-21-15)11-22-14-7-5-13(6-8-14)17(18,19)20;1-13-6-5-7-15(10-13)19-12-14-8-9-16(18-11-14)20-17(2,3)4/h5-12H,13-14H2,1-4H3;4-7H,8-14H2,1-3H3;4-9,11H,10,12H2,1-3H3;5-7,14H,8-13,15H2,1-4H3;5-8,11-13H,9-10H2,1-4H3;5-10,12H,11,13H2,1-4H3;5-12H,13H2,1-4H3;4-10H,11H2,1-3H3;5-11H,12H2,1-4H3
InChIKeyJQLUXEPYIADBKI-UHFFFAOYSA-N
MW2600.47 g/mol
LogP40.21
Rot. Bonds36

About 1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine

1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine (PubChem CID 158993614) has the molecular formula C161H208F9N9O10 and a molecular weight of 2600.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine
PubChem CID158993614
Molecular FormulaC161H208F9N9O10
Molecular Weight2600.47 g/mol
Exact Mass2598.59
IUPAC Name1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESCC(C)(C)CN1CCN(CCc2ccc(C(F)(F)F)cc2)CC1.CC(C)(C)Cc1ccc(COc2ccc(C(F)(F)F)cc2)cn1.CC(C)(C)Oc1ccc(COc2ccc(C(F)(F)F)cc2)cn1.Cc1ccc(CCc2cc(OC(C)(C)C)ccn2)cc1.Cc1cccc(CCN2CCN(CC(C)(C)C)CC2)c1.Cc1cccc(OCc2ccc(CC(C)(C)C)cc2)c1.Cc1cccc(OCc2ccc(CC(C)(C)C)nc2)c1.Cc1cccc(OCc2ccc(OC(C)(C)C)cc2)c1.Cc1cccc(OCc2ccc(OC(C)(C)C)nc2)c1
InChIInChI=1S/C19H24O.C18H27F3N2.C18H20F3NO.C18H30N2.2C18H23NO.C18H22O2.C17H18F3NO2.C17H21NO2/c1-15-6-5-7-18(12-15)20-14-17-10-8-16(9-11-17)13-19(2,3)4;1-17(2,3)14-23-12-10-22(11-13-23)9-8-15-4-6-16(7-5-15)18(19,20)21;1-17(2,3)10-15-7-4-13(11-22-15)12-23-16-8-5-14(6-9-16)18(19,20)21;1-16-6-5-7-17(14-16)8-9-19-10-12-20(13-11-19)15-18(2,3)4;1-14-5-7-15(8-6-14)9-10-16-13-17(11-12-19-16)20-18(2,3)4;1-14-6-5-7-17(10-14)20-13-15-8-9-16(19-12-15)11-18(2,3)4;1-14-6-5-7-17(12-14)19-13-15-8-10-16(11-9-15)20-18(2,3)4;1-16(2,3)23-15-9-4-12(10-21-15)11-22-14-7-5-13(6-8-14)17(18,19)20;1-13-6-5-7-15(10-13)19-12-14-8-9-16(18-11-14)20-17(2,3)4/h5-12H,13-14H2,1-4H3;4-7H,8-14H2,1-3H3;4-9,11H,10,12H2,1-3H3;5-7,14H,8-13,15H2,1-4H3;5-8,11-13H,9-10H2,1-4H3;5-10,12H,11,13H2,1-4H3;5-12H,13H2,1-4H3;4-10H,11H2,1-3H3;5-11H,12H2,1-4H3
InChIKeyJQLUXEPYIADBKI-UHFFFAOYSA-N
XLogP40.21
TPSA169.71 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds36
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002600.47
LogP ≤ 540.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine 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

5,11,17,23-Tetrakis(2-aminoethyl)-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol;2,2,2-trifluoroacetic acid
CID 57395727
5,11,17,23-Tetrakis(2-aminoethyl)-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
CID 57345624
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
2-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]pyridine
CID 15163579
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridin-2-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]pyridine
CID 57968013
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridin-2-yl]oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]pyridine
CID 57968081
2-[[1-Methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridin-2-yl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
CID 143618655
2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;propan-2-ylcyclohexane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile
CID 157257878
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]pyridine;3-[3-[3-[3-[4-[2-[4-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]ethoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 157280274
3-Tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 157586124
3-Tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 157676301
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-fluoropyridine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 157819114

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine (CID 158993614) is 1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine is CC(C)(C)CN1CCN(CCc2ccc(C(F)(F)F)cc2)CC1.CC(C)(C)Cc1ccc(COc2ccc(C(F)(F)F)cc2)cn1.CC(C)(C)Oc1ccc(COc2ccc(C(F)(F)F)cc2)cn1.Cc1ccc(CCc2cc(OC(C)(C)C)ccn2)cc1.Cc1cccc(CCN2CCN(CC(C)(C)C)CC2)c1.Cc1cccc(OCc2ccc(CC(C)(C)C)cc2)c1.Cc1cccc(OCc2ccc(CC(C)(C)C)nc2)c1.Cc1cccc(OCc2ccc(OC(C)(C)C)cc2)c1.Cc1cccc(OCc2ccc(OC(C)(C)C)nc2)c1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine?
The InChIKey is JQLUXEPYIADBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O.C18H27F3N2.C18H20F3NO.C18H30N2.2C18H23NO.C18H22O2.C17H18F3NO2.C17H21NO2/c1-15-6-5-7-18(12-15)20-14-17-10-8-16(9-11-17)13-19(2,3)4;1-17(2,3)14-23-12-10-22(11-13-23)9-8-15-4-6-16(7-5-15)18(19,20)21;1-17(2,3)10-15-7-4-13(11-22-15)12-23-16-8-5-14(6-9-16)18(19,20)21;1-16-6-5-7-17(14-16)8-9-19-10-12-20(13-11-19)15-18(2,3)4;1-14-5-7-15(8-6-14)9-10-16-13-17(11-12-19-16)20-18(2,3)4;1-14-6-5-7-17(10-14)20-13-15-8-9-16(19-12-15)11-18(2,3)4;1-14-6-5-7-17(12-14)19-13-15-8-10-16(11-9-15)20-18(2,3)4;1-16(2,3)23-15-9-4-12(10-21-15)11-22-14-7-5-13(6-8-14)17(18,19)20;1-13-6-5-7-15(10-13)19-12-14-8-9-16(18-11-14)20-17(2,3)4/h5-12H,13-14H2,1-4H3;4-7H,8-14H2,1-3H3;4-9,11H,10,12H2,1-3H3;5-7,14H,8-13,15H2,1-4H3;5-8,11-13H,9-10H2,1-4H3;5-10,12H,11,13H2,1-4H3;5-12H,13H2,1-4H3;4-10H,11H2,1-3H3;5-11H,12H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine?
1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine has a molecular weight of 2600.47 g/mol, XLogP of 40.21, 36 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[(3-methylphenoxy)methyl]benzene;2-(2,2-dimethylpropyl)-5-[(3-methylphenoxy)methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-(3-methylphenyl)ethyl]piperazine;2-(2,2-dimethylpropyl)-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine;1-(2,2-dimethylpropyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine;1-methyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzene;5-[(3-methylphenoxy)methyl]-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[2-(4-methylphenyl)ethyl]-4-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 158993614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).