(2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol

C22H21NO — CID 143066047

IUPAC(2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol
SMILESC/C(=N\[C@H](CO)c1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-17(18-10-4-2-5-11-18)23-22(16-24)21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,22,24H,16H2,1H3/b23-17+/t22-/m1/s1
InChIKeyDHPOWYNYDYRSEA-PLPWKKLYSA-N
MW315.42 g/mol
LogP4.90
Rot. Bonds5

About (2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol

(2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol (PubChem CID 143066047) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol
PubChem CID143066047
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol
SMILESC/C(=N\[C@H](CO)c1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-17(18-10-4-2-5-11-18)23-22(16-24)21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,22,24H,16H2,1H3/b23-17+/t22-/m1/s1
InChIKeyDHPOWYNYDYRSEA-PLPWKKLYSA-N
XLogP4.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.90
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

(betaR)-beta-[(Phenylmethylene)amino]benzeneethanol
CID 10911227
1-[(3-Fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 46014160
1-(Benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol
CID 22049431
2-(Benzhydryliden-amino)-1-cyclopropyl-2-(3,4-difluoro-phenyl)-ethanol
CID 22993501
1-(benzhydrylideneamino)-5-fluoro-2,3-dihydro-1H-inden-2-ol
CID 89650320
2-(4-Tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol
CID 163567407
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine
CID 12712295
2-benzhydrylidene-3-phenyl-3H-diazet-2-ium-4-olate
CID 13017105
(1R,2S)-2-(benzylideneamino)-1,2-diphenylethanol
CID 101237804
(1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol
CID 101237805
[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]methanol
CID 101767734
N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine
CID 134877791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol?
The IUPAC name of (2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol (CID 143066047) is (2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol.
What is the SMILES notation for (2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol?
The canonical SMILES for (2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol is C/C(=N\[C@H](CO)c1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol?
The InChIKey is DHPOWYNYDYRSEA-PLPWKKLYSA-N. The full InChI is InChI=1S/C22H21NO/c1-17(18-10-4-2-5-11-18)23-22(16-24)21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,22,24H,16H2,1H3/b23-17+/t22-/m1/s1.
What are the key properties of (2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol?
(2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol has a molecular weight of 315.42 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-phenylethylideneamino)-2-(2-phenylphenyl)ethanol is sourced from PubChem (CID 143066047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).