(1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol

C23H25NO2 — CID 11078547

IUPAC(1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
SMILESO[C@@H](CN(Cc1ccccc1)C[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO2/c25-22(20-12-6-2-7-13-20)17-24(16-19-10-4-1-5-11-19)18-23(26)21-14-8-3-9-15-21/h1-15,22-23,25-26H,16-18H2/t22-,23-/m0/s1
InChIKeyUCNCUQNDNPWJTI-GOTSBHOMSA-N
MW347.46 g/mol
LogP3.96
Rot. Bonds8

About (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol

(1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol (PubChem CID 11078547) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
PubChem CID11078547
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
SMILESO[C@@H](CN(Cc1ccccc1)C[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO2/c25-22(20-12-6-2-7-13-20)17-24(16-19-10-4-1-5-11-19)18-23(26)21-14-8-3-9-15-21/h1-15,22-23,25-26H,16-18H2/t22-,23-/m0/s1
InChIKeyUCNCUQNDNPWJTI-GOTSBHOMSA-N
XLogP3.96
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol (CID 11078547) is (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol is O[C@@H](CN(Cc1ccccc1)C[C@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol?
The InChIKey is UCNCUQNDNPWJTI-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H25NO2/c25-22(20-12-6-2-7-13-20)17-24(16-19-10-4-1-5-11-19)18-23(26)21-14-8-3-9-15-21/h1-15,22-23,25-26H,16-18H2/t22-,23-/m0/s1.
What are the key properties of (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol?
(1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol has a molecular weight of 347.46 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol is sourced from PubChem (CID 11078547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).