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

C27H33NO2 — CID 10135815

IUPAC(2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccccc1)C1CC1
InChIInChI=1S/C27H33NO2/c1-27(2,17-20-12-13-21-8-6-7-11-24(21)16-20)28-18-25(29)19-30-26(23-14-15-23)22-9-4-3-5-10-22/h3-13,16,23,25-26,28-29H,14-15,17-19H2,1-2H3/t25-,26?/m1/s1
InChIKeyGNOTVFACNIFDMT-DCWQJPKNSA-N
MW403.57 g/mol
LogP5.28
Rot. Bonds10

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

(2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 10135815) has the molecular formula C27H33NO2 and a molecular weight of 403.57 g/mol. Its IUPAC name is (2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
PubChem CID10135815
Molecular FormulaC27H33NO2
Molecular Weight403.57 g/mol
Exact Mass403.25
IUPAC Name(2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccccc1)C1CC1
InChIInChI=1S/C27H33NO2/c1-27(2,17-20-12-13-21-8-6-7-11-24(21)16-20)28-18-25(29)19-30-26(23-14-15-23)22-9-4-3-5-10-22/h3-13,16,23,25-26,28-29H,14-15,17-19H2,1-2H3/t25-,26?/m1/s1
InChIKeyGNOTVFACNIFDMT-DCWQJPKNSA-N
XLogP5.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (CID 10135815) is (2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[cyclopropyl(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)C1CC1.
What is the InChIKey of (2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The InChIKey is GNOTVFACNIFDMT-DCWQJPKNSA-N. The full InChI is InChI=1S/C27H33NO2/c1-27(2,17-20-12-13-21-8-6-7-11-24(21)16-20)28-18-25(29)19-30-26(23-14-15-23)22-9-4-3-5-10-22/h3-13,16,23,25-26,28-29H,14-15,17-19H2,1-2H3/t25-,26?/m1/s1.
What are the key properties of (2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
(2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 403.57 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclopropyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 10135815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).