(1S,2R)-2-(benzylamino)-1,2-diphenylethanol

C21H21NO — CID 7145186

IUPAC(1S,2R)-2-(benzylamino)-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NO/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21+/m1/s1
InChIKeyKKJGAZRIFJEPKA-RTWAWAEBSA-N
MW303.41 g/mol
LogP4.25
Rot. Bonds6

About (1S,2R)-2-(benzylamino)-1,2-diphenylethanol

(1S,2R)-2-(benzylamino)-1,2-diphenylethanol (PubChem CID 7145186) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is (1S,2R)-2-(benzylamino)-1,2-diphenylethanol.

Molecular Properties

Compound Name(1S,2R)-2-(benzylamino)-1,2-diphenylethanol
PubChem CID7145186
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name(1S,2R)-2-(benzylamino)-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NO/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21+/m1/s1
InChIKeyKKJGAZRIFJEPKA-RTWAWAEBSA-N
XLogP4.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(benzylamino)-1,2-diphenylethanol?
The IUPAC name of (1S,2R)-2-(benzylamino)-1,2-diphenylethanol (CID 7145186) is (1S,2R)-2-(benzylamino)-1,2-diphenylethanol.
What is the SMILES notation for (1S,2R)-2-(benzylamino)-1,2-diphenylethanol?
The canonical SMILES for (1S,2R)-2-(benzylamino)-1,2-diphenylethanol is O[C@@H](c1ccccc1)[C@H](NCc1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R)-2-(benzylamino)-1,2-diphenylethanol?
The InChIKey is KKJGAZRIFJEPKA-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H21NO/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21+/m1/s1.
What are the key properties of (1S,2R)-2-(benzylamino)-1,2-diphenylethanol?
(1S,2R)-2-(benzylamino)-1,2-diphenylethanol has a molecular weight of 303.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(benzylamino)-1,2-diphenylethanol is sourced from PubChem (CID 7145186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).