2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol

C15H14ClFN2O — CID 23322779

IUPAC2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol
SMILESNc1ccc(Cl)cc1/C(=N/CCO)c1ccccc1F
InChIInChI=1S/C15H14ClFN2O/c16-10-5-6-14(18)12(9-10)15(19-7-8-20)11-3-1-2-4-13(11)17/h1-6,9,20H,7-8,18H2/b19-15+
InChIKeyXYLAJFBFSJTVFG-XDJHFCHBSA-N
MW292.74 g/mol
LogP2.89
Rot. Bonds4

About 2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol

2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol (PubChem CID 23322779) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol.

Molecular Properties

Compound Name2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol
PubChem CID23322779
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol
SMILESNc1ccc(Cl)cc1/C(=N/CCO)c1ccccc1F
InChIInChI=1S/C15H14ClFN2O/c16-10-5-6-14(18)12(9-10)15(19-7-8-20)11-3-1-2-4-13(11)17/h1-6,9,20H,7-8,18H2/b19-15+
InChIKeyXYLAJFBFSJTVFG-XDJHFCHBSA-N
XLogP2.89
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol?
The IUPAC name of 2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol (CID 23322779) is 2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol.
What is the SMILES notation for 2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol?
The canonical SMILES for 2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol is Nc1ccc(Cl)cc1/C(=N/CCO)c1ccccc1F.
What is the InChIKey of 2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol?
The InChIKey is XYLAJFBFSJTVFG-XDJHFCHBSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-10-5-6-14(18)12(9-10)15(19-7-8-20)11-3-1-2-4-13(11)17/h1-6,9,20H,7-8,18H2/b19-15+.
What are the key properties of 2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol?
2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol has a molecular weight of 292.74 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]ethanol is sourced from PubChem (CID 23322779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).