(1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol

C22H23NO — CID 11438513

IUPAC(1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol
SMILESCN(Cc1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C22H23NO/c1-23(17-18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)22(24)20-15-9-4-10-16-20/h2-16,21-22,24H,17H2,1H3/t21-,22+/m0/s1
InChIKeyXKGVODLIURNSDV-FCHUYYIVSA-N
MW317.43 g/mol
LogP4.59
Rot. Bonds6

About (1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol

(1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol (PubChem CID 11438513) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is (1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol.

Molecular Properties

Compound Name(1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol
PubChem CID11438513
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name(1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol
SMILESCN(Cc1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C22H23NO/c1-23(17-18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)22(24)20-15-9-4-10-16-20/h2-16,21-22,24H,17H2,1H3/t21-,22+/m0/s1
InChIKeyXKGVODLIURNSDV-FCHUYYIVSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol?
The IUPAC name of (1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol (CID 11438513) is (1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol.
What is the SMILES notation for (1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol?
The canonical SMILES for (1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol is CN(Cc1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol?
The InChIKey is XKGVODLIURNSDV-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H23NO/c1-23(17-18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)22(24)20-15-9-4-10-16-20/h2-16,21-22,24H,17H2,1H3/t21-,22+/m0/s1.
What are the key properties of (1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol?
(1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol has a molecular weight of 317.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol is sourced from PubChem (CID 11438513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).