2-(3-chloro-2,5,6-trifluorophenyl)ethanamine

C8H7ClF3N — CID 117299579

IUPAC2-(3-chloro-2,5,6-trifluorophenyl)ethanamine
SMILESNCCc1c(F)c(F)cc(Cl)c1F
InChIInChI=1S/C8H7ClF3N/c9-5-3-6(10)8(12)4(1-2-13)7(5)11/h3H,1-2,13H2
InChIKeyXKOQXRKPEOPWPL-UHFFFAOYSA-N
MW209.60 g/mol
LogP2.26
Rot. Bonds2

About 2-(3-chloro-2,5,6-trifluorophenyl)ethanamine

2-(3-chloro-2,5,6-trifluorophenyl)ethanamine (PubChem CID 117299579) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 2-(3-chloro-2,5,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2,5,6-trifluorophenyl)ethanamine
PubChem CID117299579
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name2-(3-chloro-2,5,6-trifluorophenyl)ethanamine
SMILESNCCc1c(F)c(F)cc(Cl)c1F
InChIInChI=1S/C8H7ClF3N/c9-5-3-6(10)8(12)4(1-2-13)7(5)11/h3H,1-2,13H2
InChIKeyXKOQXRKPEOPWPL-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-2,5,6-trifluorophenyl)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-(2-aminoethyl)-6-chloro-3,4-difluorophenol
CID 83883525
1-chloro-2,4,5-trifluoro-3-propylbenzene
CID 144809171
2-(3-chloro-4,5-difluorophenyl)ethanamine
CID 117282784
2-(4-aminobutyl)-6-chloro-3,4-difluorophenol
CID 117343886
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride
CID 86091425
4-(3-chloro-2,5-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377898
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894
2-(2,4,6-trifluorophenyl)ethanamine
CID 10631080
4-[(3-chloro-2,5,6-trifluorophenyl)methyl]piperidine
CID 117414030
3-(3-chloro-2,5,6-trifluorophenyl)-2-methylpropanoic acid
CID 117384557

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,5,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(3-chloro-2,5,6-trifluorophenyl)ethanamine (CID 117299579) is 2-(3-chloro-2,5,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2,5,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2,5,6-trifluorophenyl)ethanamine is NCCc1c(F)c(F)cc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2,5,6-trifluorophenyl)ethanamine?
The InChIKey is XKOQXRKPEOPWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c9-5-3-6(10)8(12)4(1-2-13)7(5)11/h3H,1-2,13H2.
What are the key properties of 2-(3-chloro-2,5,6-trifluorophenyl)ethanamine?
2-(3-chloro-2,5,6-trifluorophenyl)ethanamine has a molecular weight of 209.60 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,5,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 117299579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).