1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine

C13H12ClFN2O — CID 116689319

IUPAC1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H12ClFN2O/c1-8(16)9-5-6-17-12(7-9)18-11-4-2-3-10(14)13(11)15/h2-8H,16H2,1H3
InChIKeyCNPAJAVMRKKRJE-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.69
Rot. Bonds3

About 1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine

1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine (PubChem CID 116689319) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine
PubChem CID116689319
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H12ClFN2O/c1-8(16)9-5-6-17-12(7-9)18-11-4-2-3-10(14)13(11)15/h2-8H,16H2,1H3
InChIKeyCNPAJAVMRKKRJE-UHFFFAOYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol
CID 104892705
(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine
CID 107658732
1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
CID 107099915
(1R)-1-(2-quinolin-5-yloxy-4-pyridinyl)ethanamine
CID 103044967
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689946
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 104940722
(1R)-1-[2-(2-fluoro-3-methylphenoxy)-4-pyridinyl]ethanol
CID 107659141
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine?
The IUPAC name of 1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine (CID 116689319) is 1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine is CC(N)c1ccnc(Oc2cccc(Cl)c2F)c1.
What is the InChIKey of 1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine?
The InChIKey is CNPAJAVMRKKRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8(16)9-5-6-17-12(7-9)18-11-4-2-3-10(14)13(11)15/h2-8H,16H2,1H3.
What are the key properties of 1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine?
1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine has a molecular weight of 266.70 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine is sourced from PubChem (CID 116689319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).