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

C28H35NO3 — CID 10113741

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

(2R)-1-[cyclopropyl-(2-methoxyphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 10113741) has the molecular formula C28H35NO3 and a molecular weight of 433.59 g/mol. Its IUPAC name is (2R)-1-[cyclopropyl-(2-methoxyphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[cyclopropyl-(2-methoxyphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• PubChem CID: 10113741
• Molecular Formula: C28H35NO3
• Molecular Weight: 433.59 g/mol
• Exact Mass: 433.26
• IUPAC Name: (2R)-1-[cyclopropyl-(2-methoxyphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• SMILES: COc1ccccc1C(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1
• InChI: InChI=1S/C28H35NO3/c1-28(2,17-20-12-13-21-8-4-5-9-23(21)16-20)29-18-24(30)19-32-27(22-14-15-22)25-10-6-7-11-26(25)31-3/h4-13,16,22,24,27,29-30H,14-15,17-19H2,1-3H3/t24-,27?/m1/s1
• InChIKey: GIOXDGUYBMOVIJ-DXDQHDRFSA-N
• XLogP: 5.29
• TPSA: 50.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.59
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2R)-1-[cyclopropyl-(2-methoxyphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (CID 10113741) is (2R)-1-[cyclopropyl-(2-methoxyphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

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

The canonical SMILES for (2R)-1-[cyclopropyl-(2-methoxyphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is COc1ccccc1C(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1.

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

The InChIKey is GIOXDGUYBMOVIJ-DXDQHDRFSA-N. The full InChI is InChI=1S/C28H35NO3/c1-28(2,17-20-12-13-21-8-4-5-9-23(21)16-20)29-18-24(30)19-32-27(22-14-15-22)25-10-6-7-11-26(25)31-3/h4-13,16,22,24,27,29-30H,14-15,17-19H2,1-3H3/t24-,27?/m1/s1.

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

(2R)-1-[cyclopropyl-(2-methoxyphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 433.59 g/mol, XLogP of 5.29, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[cyclopropyl-(2-methoxyphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 10113741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).