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

C30H33NO2 — CID 46891531

IUPAC(2R)-1-benzhydryloxy-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/C30H33NO2/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/h3-19,28-29,31-32H,20-22H2,1-2H3/t28-/m1/s1
InChIKeyFHBHQCUPBZXJTM-MUUNZHRXSA-N
MW439.60 g/mol
LogP5.92
Rot. Bonds10

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

(2R)-1-benzhydryloxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 46891531) has the molecular formula C30H33NO2 and a molecular weight of 439.60 g/mol. Its IUPAC name is (2R)-1-benzhydryloxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-benzhydryloxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
PubChem CID46891531
Molecular FormulaC30H33NO2
Molecular Weight439.60 g/mol
Exact Mass439.25
IUPAC Name(2R)-1-benzhydryloxy-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/C30H33NO2/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/h3-19,28-29,31-32H,20-22H2,1-2H3/t28-/m1/s1
InChIKeyFHBHQCUPBZXJTM-MUUNZHRXSA-N
XLogP5.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzhydryloxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-benzhydryloxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (CID 46891531) is (2R)-1-benzhydryloxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-benzhydryloxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-benzhydryloxy-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-benzhydryloxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The InChIKey is FHBHQCUPBZXJTM-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H33NO2/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/h3-19,28-29,31-32H,20-22H2,1-2H3/t28-/m1/s1.
What are the key properties of (2R)-1-benzhydryloxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
(2R)-1-benzhydryloxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 439.60 g/mol, XLogP of 5.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzhydryloxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 46891531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).