4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline

C8H10ClFN2 — CID 55275204

IUPAC4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline
SMILESC[C@@H](N)c1cc(F)c(N)c(Cl)c1
InChIInChI=1S/C8H10ClFN2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-4H,11-12H2,1H3/t4-/m1/s1
InChIKeyBYVPFBKOECATTP-SCSAIBSYSA-N
MW188.63 g/mol
LogP2.08
Rot. Bonds1

About 4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline

4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline (PubChem CID 55275204) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline
PubChem CID55275204
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC Name4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline
SMILESC[C@@H](N)c1cc(F)c(N)c(Cl)c1
InChIInChI=1S/C8H10ClFN2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-4H,11-12H2,1H3/t4-/m1/s1
InChIKeyBYVPFBKOECATTP-SCSAIBSYSA-N
XLogP2.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline 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 4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline (CID 55275204) is 4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline is C[C@@H](N)c1cc(F)c(N)c(Cl)c1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline?
The InChIKey is BYVPFBKOECATTP-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H10ClFN2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-4H,11-12H2,1H3/t4-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline?
4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline has a molecular weight of 188.63 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-2-chloro-6-fluoroaniline is sourced from PubChem (CID 55275204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).