1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine

C13H12ClFN2 — CID 54967235

IUPAC1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCC(N)(c1ccc(Cl)cc1)c1cncc(F)c1
InChIInChI=1S/C13H12ClFN2/c1-13(16,9-2-4-11(14)5-3-9)10-6-12(15)8-17-7-10/h2-8H,16H2,1H3
InChIKeyRZKNETXAZWFJMO-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.10
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine

1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine (PubChem CID 54967235) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
PubChem CID54967235
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCC(N)(c1ccc(Cl)cc1)c1cncc(F)c1
InChIInChI=1S/C13H12ClFN2/c1-13(16,9-2-4-11(14)5-3-9)10-6-12(15)8-17-7-10/h2-8H,16H2,1H3
InChIKeyRZKNETXAZWFJMO-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine (CID 54967235) is 1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine is CC(N)(c1ccc(Cl)cc1)c1cncc(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is RZKNETXAZWFJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-13(16,9-2-4-11(14)5-3-9)10-6-12(15)8-17-7-10/h2-8H,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine?
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 250.70 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 54967235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).