2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine

C15H15ClFNO — CID 22681524

IUPAC2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO/c16-13-3-6-15(12(9-13)7-8-18)19-10-11-1-4-14(17)5-2-11/h1-6,9H,7-8,10,18H2
InChIKeyICSJWMSTTJJVGE-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.56
Rot. Bonds5

About 2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine

2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 22681524) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID22681524
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO/c16-13-3-6-15(12(9-13)7-8-18)19-10-11-1-4-14(17)5-2-11/h1-6,9H,7-8,10,18H2
InChIKeyICSJWMSTTJJVGE-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine 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-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine (CID 22681524) is 2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine is NCCc1cc(Cl)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is ICSJWMSTTJJVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-13-3-6-15(12(9-13)7-8-18)19-10-11-1-4-14(17)5-2-11/h1-6,9H,7-8,10,18H2.
What are the key properties of 2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 279.74 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 22681524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).