(1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol

C21H21NO — CID 11536788

IUPAC(1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol
SMILESCN(c1ccccc1)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C21H21NO/c1-22(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)21(23)18-13-7-3-8-14-18/h2-16,20-21,23H,1H3/t20-,21-/m0/s1
InChIKeyLYCDYVURSXYADR-SFTDATJTSA-N
MW303.41 g/mol
LogP4.60
Rot. Bonds5

About (1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol

(1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol (PubChem CID 11536788) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is (1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol.

Molecular Properties

Compound Name(1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol
PubChem CID11536788
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name(1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol
SMILESCN(c1ccccc1)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C21H21NO/c1-22(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)21(23)18-13-7-3-8-14-18/h2-16,20-21,23H,1H3/t20-,21-/m0/s1
InChIKeyLYCDYVURSXYADR-SFTDATJTSA-N
XLogP4.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol?
The IUPAC name of (1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol (CID 11536788) is (1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol.
What is the SMILES notation for (1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol?
The canonical SMILES for (1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol is CN(c1ccccc1)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol?
The InChIKey is LYCDYVURSXYADR-SFTDATJTSA-N. The full InChI is InChI=1S/C21H21NO/c1-22(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)21(23)18-13-7-3-8-14-18/h2-16,20-21,23H,1H3/t20-,21-/m0/s1.
What are the key properties of (1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol?
(1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol has a molecular weight of 303.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(N-methylanilino)-1,2-diphenylethanol is sourced from PubChem (CID 11536788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).