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

C16H17ClFNO — CID 63064588

IUPAC2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol
SMILESCC(NC(C)c1ccc(F)cc1O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-10(12-3-5-13(17)6-4-12)19-11(2)15-8-7-14(18)9-16(15)20/h3-11,19-20H,1-2H3
InChIKeySPPGOLCEYYRVJT-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.60
Rot. Bonds4

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

2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol (PubChem CID 63064588) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol
PubChem CID63064588
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol
SMILESCC(NC(C)c1ccc(F)cc1O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-10(12-3-5-13(17)6-4-12)19-11(2)15-8-7-14(18)9-16(15)20/h3-11,19-20H,1-2H3
InChIKeySPPGOLCEYYRVJT-UHFFFAOYSA-N
XLogP4.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.60
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-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol (CID 63064588) is 2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol is CC(NC(C)c1ccc(F)cc1O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol?
The InChIKey is SPPGOLCEYYRVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10(12-3-5-13(17)6-4-12)19-11(2)15-8-7-14(18)9-16(15)20/h3-11,19-20H,1-2H3.
What are the key properties of 2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol?
2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol has a molecular weight of 293.77 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol is sourced from PubChem (CID 63064588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).