(1R)-3-benzylimino-1,3-diphenylpropan-1-ol

C22H21NO — CID 134950461

IUPAC(1R)-3-benzylimino-1,3-diphenylpropan-1-ol
SMILESO[C@H](C/C(=N\Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c24-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)23-17-18-10-4-1-5-11-18/h1-15,22,24H,16-17H2/b23-21+/t22-/m1/s1
InChIKeyLBZMYBXWYWRAKE-HOGKFDNTSA-N
MW315.42 g/mol
LogP4.80
Rot. Bonds6

About (1R)-3-benzylimino-1,3-diphenylpropan-1-ol

(1R)-3-benzylimino-1,3-diphenylpropan-1-ol (PubChem CID 134950461) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (1R)-3-benzylimino-1,3-diphenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-benzylimino-1,3-diphenylpropan-1-ol
PubChem CID134950461
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(1R)-3-benzylimino-1,3-diphenylpropan-1-ol
SMILESO[C@H](C/C(=N\Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c24-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)23-17-18-10-4-1-5-11-18/h1-15,22,24H,16-17H2/b23-21+/t22-/m1/s1
InChIKeyLBZMYBXWYWRAKE-HOGKFDNTSA-N
XLogP4.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.80
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

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2-{[(2-Hydroxy-1,2-diphenylethyl)imino]methyl}phenol
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(2e)-1,2-Diphenyl-2-(phenylimino)ethanol
CID 283239
(E)-2-(Benzylideneamino)-1-phenylethanol
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2-(Benzylideneamino)-1-phenyl-1-propanol
CID 3342267
5,7-Diphenylbenzo[d][2]benzazepin-5-ol
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2-[(3-Fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol
CID 42838580
1-(Benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol
CID 22049431
2-(Benzhydryliden-amino)-1-cyclopropyl-2-(3,4-difluoro-phenyl)-ethanol
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(1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol
CID 11056216
(1R,2S)-2-[benzyl(methyl)amino]-1,2-diphenylethanol
CID 11438513

Frequently Asked Questions

What is the IUPAC name of (1R)-3-benzylimino-1,3-diphenylpropan-1-ol?
The IUPAC name of (1R)-3-benzylimino-1,3-diphenylpropan-1-ol (CID 134950461) is (1R)-3-benzylimino-1,3-diphenylpropan-1-ol.
What is the SMILES notation for (1R)-3-benzylimino-1,3-diphenylpropan-1-ol?
The canonical SMILES for (1R)-3-benzylimino-1,3-diphenylpropan-1-ol is O[C@H](C/C(=N\Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-3-benzylimino-1,3-diphenylpropan-1-ol?
The InChIKey is LBZMYBXWYWRAKE-HOGKFDNTSA-N. The full InChI is InChI=1S/C22H21NO/c24-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)23-17-18-10-4-1-5-11-18/h1-15,22,24H,16-17H2/b23-21+/t22-/m1/s1.
What are the key properties of (1R)-3-benzylimino-1,3-diphenylpropan-1-ol?
(1R)-3-benzylimino-1,3-diphenylpropan-1-ol has a molecular weight of 315.42 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-benzylimino-1,3-diphenylpropan-1-ol is sourced from PubChem (CID 134950461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).