1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine

C96H105F6N9O8 — CID 167592809

IUPAC1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine
SMILESCc1ccccc1CN(Cc1ccc(C(F)(F)F)nc1)CC(O)COc1ccc(F)cc1.Cc1ccccc1CN(Cc1cccnc1C(C)(C)C)CC(O)COc1ccccc1.Cc1ccccc1CN(Cc1ncc[nH]1)CC(O)COc1ccc(F)cc1.Cc1cccnc1.OC(COc1ccc(F)cc1)Cc1ccc2ccccc2n1
InChIInChI=1S/C27H34N2O2.C24H24F4N2O2.C21H24FN3O2.C18H16FNO2.C6H7N/c1-21-11-8-9-12-22(21)17-29(18-23-13-10-16-28-26(23)27(2,3)4)19-24(30)20-31-25-14-6-5-7-15-25;1-17-4-2-3-5-19(17)14-30(13-18-6-11-23(29-12-18)24(26,27)28)15-21(31)16-32-22-9-7-20(25)8-10-22;1-16-4-2-3-5-17(16)12-25(14-21-23-10-11-24-21)13-19(26)15-27-20-8-6-18(22)7-9-20;19-14-6-9-17(10-7-14)22-12-16(21)11-15-8-5-13-3-1-2-4-18(13)20-15;1-6-3-2-4-7-5-6/h5-16,24,30H,17-20H2,1-4H3;2-12,21,31H,13-16H2,1H3;2-11,19,26H,12-15H2,1H3,(H,23,24);1-10,16,21H,11-12H2;2-5H,1H3
InChIKeyIQNAWXPUBPFUNB-UHFFFAOYSA-N
MW1626.94 g/mol
LogP18.17
Rot. Bonds32

About 1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine

1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine (PubChem CID 167592809) has the molecular formula C96H105F6N9O8 and a molecular weight of 1626.94 g/mol. Its IUPAC name is 1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine.

Molecular Properties

Compound Name1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine
PubChem CID167592809
Molecular FormulaC96H105F6N9O8
Molecular Weight1626.94 g/mol
Exact Mass1625.80
IUPAC Name1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine
SMILESCc1ccccc1CN(Cc1ccc(C(F)(F)F)nc1)CC(O)COc1ccc(F)cc1.Cc1ccccc1CN(Cc1cccnc1C(C)(C)C)CC(O)COc1ccccc1.Cc1ccccc1CN(Cc1ncc[nH]1)CC(O)COc1ccc(F)cc1.Cc1cccnc1.OC(COc1ccc(F)cc1)Cc1ccc2ccccc2n1
InChIInChI=1S/C27H34N2O2.C24H24F4N2O2.C21H24FN3O2.C18H16FNO2.C6H7N/c1-21-11-8-9-12-22(21)17-29(18-23-13-10-16-28-26(23)27(2,3)4)19-24(30)20-31-25-14-6-5-7-15-25;1-17-4-2-3-5-19(17)14-30(13-18-6-11-23(29-12-18)24(26,27)28)15-21(31)16-32-22-9-7-20(25)8-10-22;1-16-4-2-3-5-17(16)12-25(14-21-23-10-11-24-21)13-19(26)15-27-20-8-6-18(22)7-9-20;19-14-6-9-17(10-7-14)22-12-16(21)11-15-8-5-13-3-1-2-4-18(13)20-15;1-6-3-2-4-7-5-6/h5-16,24,30H,17-20H2,1-4H3;2-12,21,31H,13-16H2,1H3;2-11,19,26H,12-15H2,1H3,(H,23,24);1-10,16,21H,11-12H2;2-5H,1H3
InChIKeyIQNAWXPUBPFUNB-UHFFFAOYSA-N
XLogP18.17
TPSA207.80 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001626.94
LogP ≤ 518.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine 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

(3R,4R)-4-[[6-[2-fluoro-3-[2-methyl-3-[(2-methylpyrido[3,2-d]pyrimidin-4-yl)amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]oxan-3-ol
CID 156279015
N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-imidazol-2-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57877058
1-[4-(12-Fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 58354640
(1S)-N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 146177975
N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 146178210
(1S)-N-[6-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-5-(trifluoromethyl)-3-pyridinyl]-1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 156359590
3-[[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]cyclobutan-1-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(1H-imidazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[methyl-[2-(trifluoromethyl)pyrimidin-5-yl]amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 158888972
1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol
CID 159002133
6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoline
CID 159857504
N-[[4-[3-[2-(3,3-difluoropiperidin-4-yl)ethoxy]quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-fluoroaniline
CID 166923160
N-[[4-[3-[2-(2-aminoethoxy)ethoxy]quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline
CID 166923542
1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[6-methyl-3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167572121

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine?
The IUPAC name of 1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine (CID 167592809) is 1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine.
What is the SMILES notation for 1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine?
The canonical SMILES for 1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine is Cc1ccccc1CN(Cc1ccc(C(F)(F)F)nc1)CC(O)COc1ccc(F)cc1.Cc1ccccc1CN(Cc1cccnc1C(C)(C)C)CC(O)COc1ccccc1.Cc1ccccc1CN(Cc1ncc[nH]1)CC(O)COc1ccc(F)cc1.Cc1cccnc1.OC(COc1ccc(F)cc1)Cc1ccc2ccccc2n1.
What is the InChIKey of 1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine?
The InChIKey is IQNAWXPUBPFUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2.C24H24F4N2O2.C21H24FN3O2.C18H16FNO2.C6H7N/c1-21-11-8-9-12-22(21)17-29(18-23-13-10-16-28-26(23)27(2,3)4)19-24(30)20-31-25-14-6-5-7-15-25;1-17-4-2-3-5-19(17)14-30(13-18-6-11-23(29-12-18)24(26,27)28)15-21(31)16-32-22-9-7-20(25)8-10-22;1-16-4-2-3-5-17(16)12-25(14-21-23-10-11-24-21)13-19(26)15-27-20-8-6-18(22)7-9-20;19-14-6-9-17(10-7-14)22-12-16(21)11-15-8-5-13-3-1-2-4-18(13)20-15;1-6-3-2-4-7-5-6/h5-16,24,30H,17-20H2,1-4H3;2-12,21,31H,13-16H2,1H3;2-11,19,26H,12-15H2,1H3,(H,23,24);1-10,16,21H,11-12H2;2-5H,1H3.
What are the key properties of 1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine?
1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine has a molecular weight of 1626.94 g/mol, XLogP of 18.17, 32 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-3-pyridinyl)methyl-[(2-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol;1-(4-fluorophenoxy)-3-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-[(2-methylphenyl)methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propan-2-ol;1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol;3-methylpyridine is sourced from PubChem (CID 167592809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).