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

C21H19NO — CID 101237805

IUPAC(1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@H](/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO/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/h1-16,20-21,23H/b22-16+/t20-,21+/m1/s1
InChIKeyGDBSIHIJCJTOMM-IHBFLQOBSA-N
MW301.39 g/mol
LogP4.58
Rot. Bonds5

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

(1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol (PubChem CID 101237805) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is (1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol.

Molecular Properties

Compound Name(1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol
PubChem CID101237805
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name(1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@H](/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO/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/h1-16,20-21,23H/b22-16+/t20-,21+/m1/s1
InChIKeyGDBSIHIJCJTOMM-IHBFLQOBSA-N
XLogP4.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1-Diphenyl-2-methyl-3-(benzylideneamino)propanol
CID 209398
2-{[(2-Hydroxy-1,2-diphenylethyl)imino]methyl}phenol
CID 135401385
2-oxidospiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]-4-ol
CID 3075493
(E)-2-(Benzylideneamino)-1-phenylethanol
CID 2841414
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(4R,5R)-2-(2-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797567
(4R,5R)-2-(3-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797569
2-(Benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 134883923
2-(Benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 134884033
2-(Benzylideneamino)-1-phenyl-1-propanol
CID 3342267
(betaR)-beta-[(Phenylmethylene)amino]benzeneethanol
CID 10911227
(1R,2S)-1-phenyl-2-(N,N-dibenzylamino)-1-propanol
CID 12105160

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol?
The IUPAC name of (1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol (CID 101237805) is (1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol.
What is the SMILES notation for (1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol?
The canonical SMILES for (1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol is O[C@@H](c1ccccc1)[C@H](/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol?
The InChIKey is GDBSIHIJCJTOMM-IHBFLQOBSA-N. The full InChI is InChI=1S/C21H19NO/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/h1-16,20-21,23H/b22-16+/t20-,21+/m1/s1.
What are the key properties of (1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol?
(1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol has a molecular weight of 301.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol is sourced from PubChem (CID 101237805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).