1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol

C116H133N11O10 — CID 167557743

IUPAC1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
SMILESCc1ccc(OCC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1.Cc1ccc(OCC(O)CN(Cc2ccn[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2cnccc2C)Cc2cnccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2ncc[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H29N3O2.2C24H25NO2.2C22H27N3O2/c1-18-4-6-24(7-5-18)29-17-23(28)16-27(14-21-12-25-10-8-19(21)2)15-22-13-26-11-9-20(22)3;1-20-12-14-24(15-13-20)27-19-23(26)18-25(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22;1-20-12-14-23(15-13-20)27-17-16-24(26)25(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22;1-17-7-9-21(10-8-17)27-16-20(26)14-25(15-22-23-11-12-24-22)13-19-6-4-3-5-18(19)2;1-17-7-9-22(10-8-17)27-16-21(26)15-25(14-20-11-12-23-24-20)13-19-6-4-3-5-18(19)2/h4-13,23,28H,14-17H2,1-3H3;2*2-15H,16-19H2,1H3;3-12,20,26H,13-16H2,1-2H3,(H,23,24);3-12,21,26H,13-16H2,1-2H3,(H,23,24)
InChIKeyDFTHYOVMDNYNGI-UHFFFAOYSA-N
MW1841.41 g/mol
LogP20.42
Rot. Bonds44

About 1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol

1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol (PubChem CID 167557743) has the molecular formula C116H133N11O10 and a molecular weight of 1841.41 g/mol. Its IUPAC name is 1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
PubChem CID167557743
Molecular FormulaC116H133N11O10
Molecular Weight1841.41 g/mol
Exact Mass1840.02
IUPAC Name1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
SMILESCc1ccc(OCC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1.Cc1ccc(OCC(O)CN(Cc2ccn[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2cnccc2C)Cc2cnccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2ncc[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H29N3O2.2C24H25NO2.2C22H27N3O2/c1-18-4-6-24(7-5-18)29-17-23(28)16-27(14-21-12-25-10-8-19(21)2)15-22-13-26-11-9-20(22)3;1-20-12-14-24(15-13-20)27-19-23(26)18-25(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22;1-20-12-14-23(15-13-20)27-17-16-24(26)25(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22;1-17-7-9-21(10-8-17)27-16-20(26)14-25(15-22-23-11-12-24-22)13-19-6-4-3-5-18(19)2;1-17-7-9-22(10-8-17)27-16-21(26)15-25(14-20-11-12-23-24-20)13-19-6-4-3-5-18(19)2/h4-13,23,28H,14-17H2,1-3H3;2*2-15H,16-19H2,1H3;3-12,20,26H,13-16H2,1-2H3,(H,23,24);3-12,21,26H,13-16H2,1-2H3,(H,23,24)
InChIKeyDFTHYOVMDNYNGI-UHFFFAOYSA-N
XLogP20.42
TPSA240.32 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds44
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001841.41
LogP ≤ 520.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol with MolForge

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Related Compounds

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167562959
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-5-carboxamide
CID 167642999
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167667412
N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167697673
3-[2-[3-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]-N-[(2S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide
CID 169605984
1-[3-[4-(2,3-Dimethylimidazol-4-yl)-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-4-[3-[4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropyl]phenoxy]-3-(methylamino)propan-2-ol
CID 123187083
6-[2-[4-[2-[5-[2-hydroxy-3-(methylamino)propoxy]-2-[[4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]methyl]phenyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]-1-methylimidazol-2-yl]ethyl-(oxan-4-yl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-yl)pyrimidine-4-carboxamide
CID 138622263
(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(2-phenylethynyl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(1H-pyrazol-5-yl)phenyl]butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide
CID 160659017
1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine
CID 160798913
N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
CID 167674092

Frequently Asked Questions

What is the IUPAC name of 1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol (CID 167557743) is 1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol is Cc1ccc(OCC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1.Cc1ccc(OCC(O)CN(Cc2ccn[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2cnccc2C)Cc2cnccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2ncc[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
The InChIKey is DFTHYOVMDNYNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2.2C24H25NO2.2C22H27N3O2/c1-18-4-6-24(7-5-18)29-17-23(28)16-27(14-21-12-25-10-8-19(21)2)15-22-13-26-11-9-20(22)3;1-20-12-14-24(15-13-20)27-19-23(26)18-25(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22;1-20-12-14-23(15-13-20)27-17-16-24(26)25(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22;1-17-7-9-21(10-8-17)27-16-20(26)14-25(15-22-23-11-12-24-22)13-19-6-4-3-5-18(19)2;1-17-7-9-22(10-8-17)27-16-21(26)15-25(14-20-11-12-23-24-20)13-19-6-4-3-5-18(19)2/h4-13,23,28H,14-17H2,1-3H3;2*2-15H,16-19H2,1H3;3-12,20,26H,13-16H2,1-2H3,(H,23,24);3-12,21,26H,13-16H2,1-2H3,(H,23,24).
What are the key properties of 1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol has a molecular weight of 1841.41 g/mol, XLogP of 20.42, 44 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 167557743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).