3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol

C10H11Cl2NO — CID 2185359

IUPAC3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol
SMILESOCCC/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-14/h2-3,6-7,14H,1,4-5H2/b13-7+
InChIKeyJPYWCIJIZNIPPD-NTUHNPAUSA-N
MW232.11 g/mol
LogP2.79
Rot. Bonds4

About 3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol

3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol (PubChem CID 2185359) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol
PubChem CID2185359
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol
SMILESOCCC/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-14/h2-3,6-7,14H,1,4-5H2/b13-7+
InChIKeyJPYWCIJIZNIPPD-NTUHNPAUSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol?
The IUPAC name of 3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol (CID 2185359) is 3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol is OCCC/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol?
The InChIKey is JPYWCIJIZNIPPD-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-14/h2-3,6-7,14H,1,4-5H2/b13-7+.
What are the key properties of 3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol?
3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol has a molecular weight of 232.11 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methylideneamino]propan-1-ol is sourced from PubChem (CID 2185359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).