(2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol

C10H11Cl2NO — CID 24758908

IUPAC(2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol
SMILESO[C@H](CCl)C/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8/h1-4,6,10,14H,5,7H2/b13-6+/t10-/m1/s1
InChIKeyLFVZLCKHDSVJFP-KUKWCLJQSA-N
MW232.11 g/mol
LogP2.36
Rot. Bonds4

About (2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol

(2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol (PubChem CID 24758908) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is (2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol
PubChem CID24758908
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name(2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol
SMILESO[C@H](CCl)C/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8/h1-4,6,10,14H,5,7H2/b13-6+/t10-/m1/s1
InChIKeyLFVZLCKHDSVJFP-KUKWCLJQSA-N
XLogP2.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The IUPAC name of (2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol (CID 24758908) is (2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol.
What is the SMILES notation for (2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The canonical SMILES for (2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol is O[C@H](CCl)C/N=C/c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The InChIKey is LFVZLCKHDSVJFP-KUKWCLJQSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8/h1-4,6,10,14H,5,7H2/b13-6+/t10-/m1/s1.
What are the key properties of (2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol?
(2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol has a molecular weight of 232.11 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]propan-2-ol is sourced from PubChem (CID 24758908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).