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

C26H33NO2 — CID 46891263

IUPAC(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(2-phenylpropoxy)propan-2-ol
SMILESCC(COC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C26H33NO2/c1-20(22-9-5-4-6-10-22)18-29-19-25(28)17-27-26(2,3)16-21-13-14-23-11-7-8-12-24(23)15-21/h4-15,20,25,27-28H,16-19H2,1-3H3/t20?,25-/m1/s1
InChIKeyOCOMRHUAILYKAX-GBAXHLBXSA-N
MW391.56 g/mol
LogP4.93
Rot. Bonds10

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

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(2-phenylpropoxy)propan-2-ol (PubChem CID 46891263) 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-(2-phenylpropoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(2-phenylpropoxy)propan-2-ol
PubChem CID46891263
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(2-phenylpropoxy)propan-2-ol
SMILESCC(COC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C26H33NO2/c1-20(22-9-5-4-6-10-22)18-29-19-25(28)17-27-26(2,3)16-21-13-14-23-11-7-8-12-24(23)15-21/h4-15,20,25,27-28H,16-19H2,1-3H3/t20?,25-/m1/s1
InChIKeyOCOMRHUAILYKAX-GBAXHLBXSA-N
XLogP4.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.93
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-(2-phenylpropoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(2-phenylpropoxy)propan-2-ol (CID 46891263) is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(2-phenylpropoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(2-phenylpropoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(2-phenylpropoxy)propan-2-ol is CC(COC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(2-phenylpropoxy)propan-2-ol?
The InChIKey is OCOMRHUAILYKAX-GBAXHLBXSA-N. The full InChI is InChI=1S/C26H33NO2/c1-20(22-9-5-4-6-10-22)18-29-19-25(28)17-27-26(2,3)16-21-13-14-23-11-7-8-12-24(23)15-21/h4-15,20,25,27-28H,16-19H2,1-3H3/t20?,25-/m1/s1.
What are the key properties of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(2-phenylpropoxy)propan-2-ol?
(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(2-phenylpropoxy)propan-2-ol has a molecular weight of 391.56 g/mol, XLogP of 4.93, 10 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-(2-phenylpropoxy)propan-2-ol is sourced from PubChem (CID 46891263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).