(2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol

C15H13Cl2NO — CID 11197151

IUPAC(2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol
SMILESOC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13Cl2NO/c16-13-6-11(7-14(17)8-13)9-18-15(10-19)12-4-2-1-3-5-12/h1-9,15,19H,10H2/b18-9+/t15-/m1/s1
InChIKeyHLQRVEOEZZOVGO-QANDDYDISA-N
MW294.18 g/mol
LogP4.15
Rot. Bonds4

About (2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol

(2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol (PubChem CID 11197151) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is (2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol
PubChem CID11197151
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name(2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol
SMILESOC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13Cl2NO/c16-13-6-11(7-14(17)8-13)9-18-15(10-19)12-4-2-1-3-5-12/h1-9,15,19H,10H2/b18-9+/t15-/m1/s1
InChIKeyHLQRVEOEZZOVGO-QANDDYDISA-N
XLogP4.15
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.15
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
(2S)-2-(benzylideneamino)-2-phenylethanol
CID 11957857
2-(Benzylideneamino)-2-phenylethanol
CID 14738818
CID 89489677
CID 89489677
2-[(3,5-Dichlorophenyl)methylideneamino]-2-phenylethanol;ethane
CID 141892981
(2S)-2-[(3-chloro-5-methylphenyl)methylideneamino]-2-phenylethanol
CID 141963313
2-(3,5-Dichlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547826
trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol
CID 10014404
cis-(1R,2S)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol
CID 10263570
(2R)-2-[(4-chlorophenyl)methylideneamino]-2-phenylethanol
CID 11253959
2-[(3,5-Dichlorophenyl)methylideneamino]-2-phenylethanol
CID 22088843
(2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol
CID 23649944

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol (CID 11197151) is (2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol is OC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of (2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol?
The InChIKey is HLQRVEOEZZOVGO-QANDDYDISA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-13-6-11(7-14(17)8-13)9-18-15(10-19)12-4-2-1-3-5-12/h1-9,15,19H,10H2/b18-9+/t15-/m1/s1.
What are the key properties of (2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol?
(2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol has a molecular weight of 294.18 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol is sourced from PubChem (CID 11197151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).