(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride

C26H34ClNO2 — CID 162331874

About (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride (PubChem CID 162331874) has the molecular formula C26H34ClNO2 and a molecular weight of 428.02 g/mol. Its IUPAC name is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride.

Molecular Properties

• Compound Name: (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride
• PubChem CID: 162331874
• Molecular Formula: C26H34ClNO2
• Molecular Weight: 428.02 g/mol
• Exact Mass: 427.23
• IUPAC Name: (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride
• SMILES: Cc1ccc(C(C)OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)cc1.Cl
• InChI: InChI=1S/C26H33NO2.ClH/c1-19-9-12-22(13-10-19)20(2)29-18-25(28)17-27-26(3,4)16-21-11-14-23-7-5-6-8-24(23)15-21;/h5-15,20,25,27-28H,16-18H2,1-4H3;1H/t20?,25-;/m1./s1
• InChIKey: SKJONMXHABPVES-RNJMRQNMSA-N
• XLogP: 5.62
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.02
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride?

The IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride (CID 162331874) is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride.

What is the SMILES notation for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride?

The canonical SMILES for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride is Cc1ccc(C(C)OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)cc1.Cl.

What is the InChIKey of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride?

The InChIKey is SKJONMXHABPVES-RNJMRQNMSA-N. The full InChI is InChI=1S/C26H33NO2.ClH/c1-19-9-12-22(13-10-19)20(2)29-18-25(28)17-27-26(3,4)16-21-11-14-23-7-5-6-8-24(23)15-21;/h5-15,20,25,27-28H,16-18H2,1-4H3;1H/t20?,25-;/m1./s1.

What are the key properties of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride?

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride has a molecular weight of 428.02 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(4-methylphenyl)ethoxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 162331874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).