1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol

C119H131N9O10 — CID 167700950

About 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol

1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol (PubChem CID 167700950) has the molecular formula C119H131N9O10 and a molecular weight of 1847.41 g/mol. Its IUPAC name is 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol
• PubChem CID: 167700950
• Molecular Formula: C119H131N9O10
• Molecular Weight: 1847.41 g/mol
• Exact Mass: 1846.00
• IUPAC Name: 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol
• SMILES: Cc1ccc(OCC(O)CN(Cc2cccnc2)Cc2ccccc2C)nc1.Cc1ccc(OCC(O)CN(Cc2cncnc2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN2Cc3ccccc3-c3ccccc3C2)cc1.Cc1ccc(OCC(O)CN2Cc3ccccc3C2c2ccccc2)cc1.Cc1ccc(OCC(O)CN2Cc3ccccc3CC2c2ccccc2)cc1
• InChI: InChI=1S/C25H27NO2.2C24H25NO2.2C23H27N3O2/c1-19-11-13-24(14-12-19)28-18-23(27)17-26-16-22-10-6-5-9-21(22)15-25(26)20-7-3-2-4-8-20;1-18-10-12-22(13-11-18)27-17-21(26)16-25-14-19-6-2-4-8-23(19)24-9-5-3-7-20(24)15-25;1-18-11-13-22(14-12-18)27-17-21(26)16-25-15-20-9-5-6-10-23(20)24(25)19-7-3-2-4-8-19;1-18-9-10-23(25-12-18)28-17-22(27)16-26(14-20-7-5-11-24-13-20)15-21-8-4-3-6-19(21)2;1-18-7-9-23(10-8-18)28-16-22(27)15-26(13-20-11-24-17-25-12-20)14-21-6-4-3-5-19(21)2/h2-14,23,25,27H,15-18H2,1H3;2-13,21,26H,14-17H2,1H3;2-14,21,24,26H,15-17H2,1H3;3-13,22,27H,14-17H2,1-2H3;3-12,17,22,27H,13-16H2,1-2H3
• InChIKey: YJMUFXVJMRVWCI-UHFFFAOYSA-N
• XLogP: 20.36
• TPSA: 215.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 35
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1847.41
LogP ≤ 5	20.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol?

The IUPAC name of 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol (CID 167700950) is 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol.

What is the SMILES notation for 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol?

The canonical SMILES for 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol is Cc1ccc(OCC(O)CN(Cc2cccnc2)Cc2ccccc2C)nc1.Cc1ccc(OCC(O)CN(Cc2cncnc2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN2Cc3ccccc3-c3ccccc3C2)cc1.Cc1ccc(OCC(O)CN2Cc3ccccc3C2c2ccccc2)cc1.Cc1ccc(OCC(O)CN2Cc3ccccc3CC2c2ccccc2)cc1.

What is the InChIKey of 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol?

The InChIKey is YJMUFXVJMRVWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2.2C24H25NO2.2C23H27N3O2/c1-19-11-13-24(14-12-19)28-18-23(27)17-26-16-22-10-6-5-9-21(22)15-25(26)20-7-3-2-4-8-20;1-18-10-12-22(13-11-18)27-17-21(26)16-25-14-19-6-2-4-8-23(19)24-9-5-3-7-20(24)15-25;1-18-11-13-22(14-12-18)27-17-21(26)16-25-15-20-9-5-6-10-23(20)24(25)19-7-3-2-4-8-19;1-18-9-10-23(25-12-18)28-17-22(27)16-26(14-20-7-5-11-24-13-20)15-21-8-4-3-6-19(21)2;1-18-7-9-23(10-8-18)28-16-22(27)15-26(13-20-11-24-17-25-12-20)14-21-6-4-3-5-19(21)2/h2-14,23,25,27H,15-18H2,1H3;2-13,21,26H,14-17H2,1H3;2-14,21,24,26H,15-17H2,1H3;3-13,22,27H,14-17H2,1-2H3;3-12,17,22,27H,13-16H2,1-2H3.

What are the key properties of 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol?

1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol has a molecular weight of 1847.41 g/mol, XLogP of 20.36, 35 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-(1-phenyl-1,3-dihydroisoindol-2-yl)propan-2-ol;1-(4-methylphenoxy)-3-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol is sourced from PubChem (CID 167700950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).