2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine

C14H13ClFN — CID 115046585

IUPAC2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
SMILESNCCc1ccc(F)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C14H13ClFN/c15-12-3-1-2-11(9-12)13-8-10(6-7-17)4-5-14(13)16/h1-5,8-9H,6-7,17H2
InChIKeyFDBDEQUNHNBQOC-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.65
Rot. Bonds3

About 2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine

2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine (PubChem CID 115046585) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
PubChem CID115046585
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
SMILESNCCc1ccc(F)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C14H13ClFN/c15-12-3-1-2-11(9-12)13-8-10(6-7-17)4-5-14(13)16/h1-5,8-9H,6-7,17H2
InChIKeyFDBDEQUNHNBQOC-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
CID 82107251
[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
2-[2-(3-chlorophenyl)phenyl]ethanamine;hydrochloride
CID 164885899
4-(3-chlorophenyl)-3-fluoroaniline
CID 65435411
4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol
CID 82296847
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837
2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine
CID 118841835
3-(3-chlorophenyl)-2,6-difluoroaniline
CID 165455763
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine
CID 116545403
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine?
The IUPAC name of 2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine (CID 115046585) is 2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine?
The canonical SMILES for 2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine is NCCc1ccc(F)c(-c2cccc(Cl)c2)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine?
The InChIKey is FDBDEQUNHNBQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c15-12-3-1-2-11(9-12)13-8-10(6-7-17)4-5-14(13)16/h1-5,8-9H,6-7,17H2.
What are the key properties of 2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine?
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine has a molecular weight of 249.72 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine is sourced from PubChem (CID 115046585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).