2-azido-1-(3-chloro-5-fluorophenyl)ethanamine

C8H8ClFN4 — CID 175160008

IUPAC2-azido-1-(3-chloro-5-fluorophenyl)ethanamine
SMILES[N-]=[N+]=NCC(N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C8H8ClFN4/c9-6-1-5(2-7(10)3-6)8(11)4-13-14-12/h1-3,8H,4,11H2
InChIKeyGSTSXRGNZFJZOG-UHFFFAOYSA-N
MW214.63 g/mol
LogP2.79
Rot. Bonds3

About 2-azido-1-(3-chloro-5-fluorophenyl)ethanamine

2-azido-1-(3-chloro-5-fluorophenyl)ethanamine (PubChem CID 175160008) has the molecular formula C8H8ClFN4 and a molecular weight of 214.63 g/mol. Its IUPAC name is 2-azido-1-(3-chloro-5-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-azido-1-(3-chloro-5-fluorophenyl)ethanamine
PubChem CID175160008
Molecular FormulaC8H8ClFN4
Molecular Weight214.63 g/mol
Exact Mass214.04
IUPAC Name2-azido-1-(3-chloro-5-fluorophenyl)ethanamine
SMILES[N-]=[N+]=NCC(N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C8H8ClFN4/c9-6-1-5(2-7(10)3-6)8(11)4-13-14-12/h1-3,8H,4,11H2
InChIKeyGSTSXRGNZFJZOG-UHFFFAOYSA-N
XLogP2.79
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-1-(3-chloro-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 2-azido-1-(3-chloro-5-fluorophenyl)ethanamine?
The IUPAC name of 2-azido-1-(3-chloro-5-fluorophenyl)ethanamine (CID 175160008) is 2-azido-1-(3-chloro-5-fluorophenyl)ethanamine.
What is the SMILES notation for 2-azido-1-(3-chloro-5-fluorophenyl)ethanamine?
The canonical SMILES for 2-azido-1-(3-chloro-5-fluorophenyl)ethanamine is [N-]=[N+]=NCC(N)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-azido-1-(3-chloro-5-fluorophenyl)ethanamine?
The InChIKey is GSTSXRGNZFJZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN4/c9-6-1-5(2-7(10)3-6)8(11)4-13-14-12/h1-3,8H,4,11H2.
What are the key properties of 2-azido-1-(3-chloro-5-fluorophenyl)ethanamine?
2-azido-1-(3-chloro-5-fluorophenyl)ethanamine has a molecular weight of 214.63 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(3-chloro-5-fluorophenyl)ethanamine is sourced from PubChem (CID 175160008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).