1-(2,4-dichloro-5-fluorophenyl)ethanamine

C8H8Cl2FN — CID 3833141

IUPAC1-(2,4-dichloro-5-fluorophenyl)ethanamine
SMILESCC(N)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2FN/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-4H,12H2,1H3
InChIKeyUUGIXMDBIAKDBF-UHFFFAOYSA-N
MW208.06 g/mol
LogP3.15
Rot. Bonds1

About 1-(2,4-dichloro-5-fluorophenyl)ethanamine

1-(2,4-dichloro-5-fluorophenyl)ethanamine (PubChem CID 3833141) has the molecular formula C8H8Cl2FN and a molecular weight of 208.06 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)ethanamine
PubChem CID3833141
Molecular FormulaC8H8Cl2FN
Molecular Weight208.06 g/mol
Exact Mass207.00
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)ethanamine
SMILESCC(N)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2FN/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-4H,12H2,1H3
InChIKeyUUGIXMDBIAKDBF-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(2,4-dichloro-5-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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)ethanamine?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)ethanamine (CID 3833141) is 1-(2,4-dichloro-5-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)ethanamine is CC(N)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)ethanamine?
The InChIKey is UUGIXMDBIAKDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FN/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-4H,12H2,1H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)ethanamine?
1-(2,4-dichloro-5-fluorophenyl)ethanamine has a molecular weight of 208.06 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-fluorophenyl)ethanamine is sourced from PubChem (CID 3833141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).