2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol

C15H15ClFNO — CID 63064243

IUPAC2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol
SMILESCC(NCc1ccc(Cl)cc1)c1ccc(F)cc1O
InChIInChI=1S/C15H15ClFNO/c1-10(14-7-6-13(17)8-15(14)19)18-9-11-2-4-12(16)5-3-11/h2-8,10,18-19H,9H2,1H3
InChIKeyZWRVXRAEIJOYLG-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.04
Rot. Bonds4

About 2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol

2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol (PubChem CID 63064243) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol
PubChem CID63064243
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol
SMILESCC(NCc1ccc(Cl)cc1)c1ccc(F)cc1O
InChIInChI=1S/C15H15ClFNO/c1-10(14-7-6-13(17)8-15(14)19)18-9-11-2-4-12(16)5-3-11/h2-8,10,18-19H,9H2,1H3
InChIKeyZWRVXRAEIJOYLG-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol (CID 63064243) is 2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol is CC(NCc1ccc(Cl)cc1)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol?
The InChIKey is ZWRVXRAEIJOYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(14-7-6-13(17)8-15(14)19)18-9-11-2-4-12(16)5-3-11/h2-8,10,18-19H,9H2,1H3.
What are the key properties of 2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol?
2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol has a molecular weight of 279.74 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methylamino]ethyl]-5-fluorophenol is sourced from PubChem (CID 63064243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).