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

C30H39NO2 — CID 46891466

IUPAC(2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C30H39NO2/c1-30(2,20-23-17-18-24-11-9-10-16-27(24)19-23)31-21-28(32)22-33-29(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3,5-6,9-13,16-19,26,28-29,31-32H,4,7-8,14-15,20-22H2,1-2H3/t28-,29?/m1/s1
InChIKeyARXWWLXUEVSQKA-FICMROCWSA-N
MW445.65 g/mol
LogP6.45
Rot. Bonds10

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

(2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 46891466) has the molecular formula C30H39NO2 and a molecular weight of 445.65 g/mol. Its IUPAC name is (2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
PubChem CID46891466
Molecular FormulaC30H39NO2
Molecular Weight445.65 g/mol
Exact Mass445.30
IUPAC Name(2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C30H39NO2/c1-30(2,20-23-17-18-24-11-9-10-16-27(24)19-23)31-21-28(32)22-33-29(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3,5-6,9-13,16-19,26,28-29,31-32H,4,7-8,14-15,20-22H2,1-2H3/t28-,29?/m1/s1
InChIKeyARXWWLXUEVSQKA-FICMROCWSA-N
XLogP6.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (CID 46891466) is (2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccccc1)C1CCCCC1.
What is the InChIKey of (2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The InChIKey is ARXWWLXUEVSQKA-FICMROCWSA-N. The full InChI is InChI=1S/C30H39NO2/c1-30(2,20-23-17-18-24-11-9-10-16-27(24)19-23)31-21-28(32)22-33-29(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3,5-6,9-13,16-19,26,28-29,31-32H,4,7-8,14-15,20-22H2,1-2H3/t28-,29?/m1/s1.
What are the key properties of (2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
(2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 445.65 g/mol, XLogP of 6.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclohexyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 46891466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).