1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

C26H33NO2S — CID 20812735

About 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 20812735) has the molecular formula C26H33NO2S and a molecular weight of 423.62 g/mol. Its IUPAC name is 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• PubChem CID: 20812735
• Molecular Formula: C26H33NO2S
• Molecular Weight: 423.62 g/mol
• Exact Mass: 423.22
• IUPAC Name: 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• SMILES: Cc1ccc(C(OCC(O)CNC(C)(C)Cc2ccc3ccccc3c2)C2CC2)s1
• InChI: InChI=1S/C26H33NO2S/c1-18-8-13-24(30-18)25(21-11-12-21)29-17-23(28)16-27-26(2,3)15-19-9-10-20-6-4-5-7-22(20)14-19/h4-10,13-14,21,23,25,27-28H,11-12,15-17H2,1-3H3
• InChIKey: BOQJVFCDFSWGJF-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.62
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The IUPAC name of 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (CID 20812735) is 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

What is the SMILES notation for 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The canonical SMILES for 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is Cc1ccc(C(OCC(O)CNC(C)(C)Cc2ccc3ccccc3c2)C2CC2)s1.

What is the InChIKey of 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The InChIKey is BOQJVFCDFSWGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2S/c1-18-8-13-24(30-18)25(21-11-12-21)29-17-23(28)16-27-26(2,3)15-19-9-10-20-6-4-5-7-22(20)14-19/h4-10,13-14,21,23,25,27-28H,11-12,15-17H2,1-3H3.

What are the key properties of 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 423.62 g/mol, XLogP of 5.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclopropyl-(5-methylthiophen-2-yl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 20812735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).