2-[(4-fluorophenyl)methylamino]ethanol

C9H12FNO — CID 3614545

IUPAC2-[(4-fluorophenyl)methylamino]ethanol
SMILESOCCNCc1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c10-9-3-1-8(2-4-9)7-11-5-6-12/h1-4,11-12H,5-7H2
InChIKeyKWEPMOQQKUYWIN-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.91
Rot. Bonds4

About 2-[(4-fluorophenyl)methylamino]ethanol

2-[(4-fluorophenyl)methylamino]ethanol (PubChem CID 3614545) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]ethanol
PubChem CID3614545
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-[(4-fluorophenyl)methylamino]ethanol
SMILESOCCNCc1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c10-9-3-1-8(2-4-9)7-11-5-6-12/h1-4,11-12H,5-7H2
InChIKeyKWEPMOQQKUYWIN-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]ethanol?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]ethanol (CID 3614545) is 2-[(4-fluorophenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]ethanol?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]ethanol is OCCNCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]ethanol?
The InChIKey is KWEPMOQQKUYWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c10-9-3-1-8(2-4-9)7-11-5-6-12/h1-4,11-12H,5-7H2.
What are the key properties of 2-[(4-fluorophenyl)methylamino]ethanol?
2-[(4-fluorophenyl)methylamino]ethanol has a molecular weight of 169.20 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]ethanol is sourced from PubChem (CID 3614545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).