3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol

C16H17ClFNO — CID 43748452

IUPAC3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1ccc(F)c(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C16H17ClFNO/c1-10(12-4-3-5-14(20)8-12)19-11(2)13-6-7-16(18)15(17)9-13/h3-11,19-20H,1-2H3
InChIKeyDUJURJZBQUVNAT-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.60
Rot. Bonds4

About 3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol

3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol (PubChem CID 43748452) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol
PubChem CID43748452
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1ccc(F)c(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C16H17ClFNO/c1-10(12-4-3-5-14(20)8-12)19-11(2)13-6-7-16(18)15(17)9-13/h3-11,19-20H,1-2H3
InChIKeyDUJURJZBQUVNAT-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

Analyze 3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol 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 3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol (CID 43748452) is 3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol is CC(NC(C)c1ccc(F)c(Cl)c1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol?
The InChIKey is DUJURJZBQUVNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10(12-4-3-5-14(20)8-12)19-11(2)13-6-7-16(18)15(17)9-13/h3-11,19-20H,1-2H3.
What are the key properties of 3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol?
3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol 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 3-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 43748452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).