2-(5-chloro-2-fluorophenyl)ethanamine

C8H9ClFN — CID 53403693

IUPAC2-(5-chloro-2-fluorophenyl)ethanamine
SMILESNCCc1cc(Cl)ccc1F
InChIInChI=1S/C8H9ClFN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4,11H2
InChIKeyFFISIJAJEXYYNZ-UHFFFAOYSA-N
MW173.62 g/mol
LogP1.98
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)ethanamine

2-(5-chloro-2-fluorophenyl)ethanamine (PubChem CID 53403693) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)ethanamine
PubChem CID53403693
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name2-(5-chloro-2-fluorophenyl)ethanamine
SMILESNCCc1cc(Cl)ccc1F
InChIInChI=1S/C8H9ClFN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4,11H2
InChIKeyFFISIJAJEXYYNZ-UHFFFAOYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-chloro-2-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-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
4-chloro-1-fluoro-2-(2-isocyanatoethyl)benzene
CID 82649928
3-(5-chloro-2-fluorophenyl)propanenitrile
CID 82468446
2-(4-chloro-2-iodophenyl)ethanamine
CID 130050912
2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride
CID 82482802
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052370
4-(5-chloro-2-fluorophenyl)-2-phenylbutan-1-amine
CID 103051753
4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine
CID 103052162

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)ethanamine (CID 53403693) is 2-(5-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)ethanamine is NCCc1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)ethanamine?
The InChIKey is FFISIJAJEXYYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4,11H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)ethanamine?
2-(5-chloro-2-fluorophenyl)ethanamine has a molecular weight of 173.62 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 53403693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).