(3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol

C19H23NO2 — CID 77081040

IUPAC(3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol
SMILESCN(CC(c1ccccc1)c1ccccc1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C19H23NO2/c1-20(18-13-22-14-19(18)21)12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-19,21H,12-14H2,1H3/t18-,19-/m0/s1
InChIKeyDPEFWCZJEJDSEF-OALUTQOASA-N
MW297.40 g/mol
LogP2.51
Rot. Bonds5

About (3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol

(3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol (PubChem CID 77081040) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol
PubChem CID77081040
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol
SMILESCN(CC(c1ccccc1)c1ccccc1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C19H23NO2/c1-20(18-13-22-14-19(18)21)12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-19,21H,12-14H2,1H3/t18-,19-/m0/s1
InChIKeyDPEFWCZJEJDSEF-OALUTQOASA-N
XLogP2.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol (CID 77081040) is (3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol is CN(CC(c1ccccc1)c1ccccc1)[C@H]1COC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol?
The InChIKey is DPEFWCZJEJDSEF-OALUTQOASA-N. The full InChI is InChI=1S/C19H23NO2/c1-20(18-13-22-14-19(18)21)12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-19,21H,12-14H2,1H3/t18-,19-/m0/s1.
What are the key properties of (3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol?
(3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol has a molecular weight of 297.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[2,2-diphenylethyl(methyl)amino]oxolan-3-ol is sourced from PubChem (CID 77081040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).