2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol

C12H17FN2O — CID 129169718

IUPAC2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol
SMILESCC(/C=N/CCO)NCc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-10(8-14-6-7-16)15-9-11-4-2-3-5-12(11)13/h2-5,8,10,15-16H,6-7,9H2,1H3/b14-8+
InChIKeyNQZUFACGCYZRCD-RIYZIHGNSA-N
MW224.28 g/mol
LogP1.37
Rot. Bonds6

About 2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol

2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol (PubChem CID 129169718) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol
PubChem CID129169718
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol
SMILESCC(/C=N/CCO)NCc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-10(8-14-6-7-16)15-9-11-4-2-3-5-12(11)13/h2-5,8,10,15-16H,6-7,9H2,1H3/b14-8+
InChIKeyNQZUFACGCYZRCD-RIYZIHGNSA-N
XLogP1.37
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol?
The IUPAC name of 2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol (CID 129169718) is 2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol is CC(/C=N/CCO)NCc1ccccc1F.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol?
The InChIKey is NQZUFACGCYZRCD-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-10(8-14-6-7-16)15-9-11-4-2-3-5-12(11)13/h2-5,8,10,15-16H,6-7,9H2,1H3/b14-8+.
What are the key properties of 2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol?
2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol has a molecular weight of 224.28 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methylamino]propylideneamino]ethanol is sourced from PubChem (CID 129169718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).