2-(3-chloro-2-fluorophenyl)-2-phenylethanamine

C14H13ClFN — CID 68832482

IUPAC2-(3-chloro-2-fluorophenyl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C14H13ClFN/c15-13-8-4-7-11(14(13)16)12(9-17)10-5-2-1-3-6-10/h1-8,12H,9,17H2
InChIKeyGXBPITKVIZMHAJ-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.57
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-2-phenylethanamine

2-(3-chloro-2-fluorophenyl)-2-phenylethanamine (PubChem CID 68832482) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-phenylethanamine
PubChem CID68832482
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C14H13ClFN/c15-13-8-4-7-11(14(13)16)12(9-17)10-5-2-1-3-6-10/h1-8,12H,9,17H2
InChIKeyGXBPITKVIZMHAJ-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-2-fluorophenyl)-2-phenylethanamine 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-(3-chloro-2-fluorophenyl)-2-phenylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-phenylethanamine (CID 68832482) is 2-(3-chloro-2-fluorophenyl)-2-phenylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-phenylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-phenylethanamine is NCC(c1ccccc1)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-phenylethanamine?
The InChIKey is GXBPITKVIZMHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c15-13-8-4-7-11(14(13)16)12(9-17)10-5-2-1-3-6-10/h1-8,12H,9,17H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-phenylethanamine?
2-(3-chloro-2-fluorophenyl)-2-phenylethanamine has a molecular weight of 249.72 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-2-phenylethanamine is sourced from PubChem (CID 68832482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).