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

C26H33NO2 — CID 10111057

IUPAC(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol
SMILESCc1cccc(C(C)OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C26H33NO2/c1-19-8-7-11-23(14-19)20(2)29-18-25(28)17-27-26(3,4)16-21-12-13-22-9-5-6-10-24(22)15-21/h5-15,20,25,27-28H,16-18H2,1-4H3/t20?,25-/m1/s1
InChIKeyGPEAFQZQRRGIAR-GBAXHLBXSA-N
MW391.56 g/mol
LogP5.20
Rot. Bonds9

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

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol (PubChem CID 10111057) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol
PubChem CID10111057
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol
SMILESCc1cccc(C(C)OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C26H33NO2/c1-19-8-7-11-23(14-19)20(2)29-18-25(28)17-27-26(3,4)16-21-12-13-22-9-5-6-10-24(22)15-21/h5-15,20,25,27-28H,16-18H2,1-4H3/t20?,25-/m1/s1
InChIKeyGPEAFQZQRRGIAR-GBAXHLBXSA-N
XLogP5.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol?
The IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol (CID 10111057) is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol is Cc1cccc(C(C)OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol?
The InChIKey is GPEAFQZQRRGIAR-GBAXHLBXSA-N. The full InChI is InChI=1S/C26H33NO2/c1-19-8-7-11-23(14-19)20(2)29-18-25(28)17-27-26(3,4)16-21-12-13-22-9-5-6-10-24(22)15-21/h5-15,20,25,27-28H,16-18H2,1-4H3/t20?,25-/m1/s1.
What are the key properties of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol?
(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(3-methylphenyl)ethoxy]propan-2-ol has a molecular weight of 391.56 g/mol, XLogP of 5.20, 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-(3-methylphenyl)ethoxy]propan-2-ol is sourced from PubChem (CID 10111057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).