1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol

C103H116N8O8 — CID 167566927

About 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol

1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol (PubChem CID 167566927) has the molecular formula C103H116N8O8 and a molecular weight of 1594.11 g/mol. Its IUPAC name is 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol
• PubChem CID: 167566927
• Molecular Formula: C103H116N8O8
• Molecular Weight: 1594.11 g/mol
• Exact Mass: 1592.89
• IUPAC Name: 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol
• SMILES: Cc1ccc(OCC(O)CN(Cc2ccc3[nH]ccc3c2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2ccc3ncccc3c2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2cccnc2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2ccncc2)Cc2ccccc2C)cc1
• InChI: InChI=1S/C28H30N2O2.C27H30N2O2.2C24H28N2O2/c1-21-9-12-27(13-10-21)32-20-26(31)19-30(18-25-7-4-3-6-22(25)2)17-23-11-14-28-24(16-23)8-5-15-29-28;1-20-7-10-26(11-8-20)31-19-25(30)18-29(17-24-6-4-3-5-21(24)2)16-22-9-12-27-23(15-22)13-14-28-27;1-19-9-11-24(12-10-19)28-18-23(27)17-26(15-21-7-5-13-25-14-21)16-22-8-4-3-6-20(22)2;1-19-7-9-24(10-8-19)28-18-23(27)17-26(15-21-11-13-25-14-12-21)16-22-6-4-3-5-20(22)2/h3-16,26,31H,17-20H2,1-2H3;3-15,25,28,30H,16-19H2,1-2H3;2*3-14,23,27H,15-18H2,1-2H3
• InChIKey: FKBUJQZMBHGMJO-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 185.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 36
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.11
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol?

The IUPAC name of 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol (CID 167566927) is 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol.

What is the SMILES notation for 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol?

The canonical SMILES for 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol is Cc1ccc(OCC(O)CN(Cc2ccc3[nH]ccc3c2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2ccc3ncccc3c2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2cccnc2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2ccncc2)Cc2ccccc2C)cc1.

What is the InChIKey of 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol?

The InChIKey is FKBUJQZMBHGMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2.C27H30N2O2.2C24H28N2O2/c1-21-9-12-27(13-10-21)32-20-26(31)19-30(18-25-7-4-3-6-22(25)2)17-23-11-14-28-24(16-23)8-5-15-29-28;1-20-7-10-26(11-8-20)31-19-25(30)18-29(17-24-6-4-3-5-21(24)2)16-22-9-12-27-23(15-22)13-14-28-27;1-19-9-11-24(12-10-19)28-18-23(27)17-26(15-21-7-5-13-25-14-21)16-22-8-4-3-6-20(22)2;1-19-7-9-24(10-8-19)28-18-23(27)17-26(15-21-11-13-25-14-12-21)16-22-6-4-3-5-20(22)2/h3-16,26,31H,17-20H2,1-2H3;3-15,25,28,30H,16-19H2,1-2H3;2*3-14,23,27H,15-18H2,1-2H3.

What are the key properties of 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol?

1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol has a molecular weight of 1594.11 g/mol, XLogP of 18.80, 36 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 167566927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).