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

C29H37NO2 — CID 20812698

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

1-[cyclopropyl-(2,3-dimethylphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 20812698) has the molecular formula C29H37NO2 and a molecular weight of 431.62 g/mol. Its IUPAC name is 1-[cyclopropyl-(2,3-dimethylphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclopropyl-(2,3-dimethylphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• PubChem CID: 20812698
• Molecular Formula: C29H37NO2
• Molecular Weight: 431.62 g/mol
• Exact Mass: 431.28
• IUPAC Name: 1-[cyclopropyl-(2,3-dimethylphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• SMILES: Cc1cccc(C(OCC(O)CNC(C)(C)Cc2ccc3ccccc3c2)C2CC2)c1C
• InChI: InChI=1S/C29H37NO2/c1-20-8-7-11-27(21(20)2)28(24-14-15-24)32-19-26(31)18-30-29(3,4)17-22-12-13-23-9-5-6-10-25(23)16-22/h5-13,16,24,26,28,30-31H,14-15,17-19H2,1-4H3
• InChIKey: LIDIBFVEPQWKQX-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.62
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[cyclopropyl-(2,3-dimethylphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (CID 20812698) is 1-[cyclopropyl-(2,3-dimethylphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

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

The canonical SMILES for 1-[cyclopropyl-(2,3-dimethylphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is Cc1cccc(C(OCC(O)CNC(C)(C)Cc2ccc3ccccc3c2)C2CC2)c1C.

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

The InChIKey is LIDIBFVEPQWKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO2/c1-20-8-7-11-27(21(20)2)28(24-14-15-24)32-19-26(31)18-30-29(3,4)17-22-12-13-23-9-5-6-10-25(23)16-22/h5-13,16,24,26,28,30-31H,14-15,17-19H2,1-4H3.

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

1-[cyclopropyl-(2,3-dimethylphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 431.62 g/mol, XLogP of 5.90, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclopropyl-(2,3-dimethylphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 20812698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).