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

C16H17ClFNO — CID 63064763

IUPAC2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol
SMILESCC(NCCc1ccc(Cl)cc1)c1ccc(F)cc1O
InChIInChI=1S/C16H17ClFNO/c1-11(15-7-6-14(18)10-16(15)20)19-9-8-12-2-4-13(17)5-3-12/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyLRINCXFJJRGVSD-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.08
Rot. Bonds5

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

2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol (PubChem CID 63064763) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol
PubChem CID63064763
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol
SMILESCC(NCCc1ccc(Cl)cc1)c1ccc(F)cc1O
InChIInChI=1S/C16H17ClFNO/c1-11(15-7-6-14(18)10-16(15)20)19-9-8-12-2-4-13(17)5-3-12/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyLRINCXFJJRGVSD-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol (CID 63064763) is 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol is CC(NCCc1ccc(Cl)cc1)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol?
The InChIKey is LRINCXFJJRGVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(15-7-6-14(18)10-16(15)20)19-9-8-12-2-4-13(17)5-3-12/h2-7,10-11,19-20H,8-9H2,1H3.
What are the key properties of 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol?
2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol has a molecular weight of 293.77 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-5-fluorophenol is sourced from PubChem (CID 63064763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).