1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine

C13H12F2N2O — CID 83127520

IUPAC1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(F)cc2F)cn1
InChIInChI=1S/C13H12F2N2O/c1-8(16)12-4-3-10(7-17-12)18-13-5-2-9(14)6-11(13)15/h2-8H,16H2,1H3
InChIKeyMTVVPIRVFKBSNC-UHFFFAOYSA-N
MW250.25 g/mol
LogP3.17
Rot. Bonds3

About 1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine

1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine (PubChem CID 83127520) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine
PubChem CID83127520
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(F)cc2F)cn1
InChIInChI=1S/C13H12F2N2O/c1-8(16)12-4-3-10(7-17-12)18-13-5-2-9(14)6-11(13)15/h2-8H,16H2,1H3
InChIKeyMTVVPIRVFKBSNC-UHFFFAOYSA-N
XLogP3.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(2,4-difluorophenoxy)-2-pyridinyl]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

(1R)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanamine
CID 83123834
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83123280
1-[5-(2,4,5-trichlorophenoxy)-2-pyridinyl]ethanamine
CID 83127680
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127673
(1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83123417
1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83123632
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031
(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937813
(1R)-1-[5-(2-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83127920
4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine
CID 165098349
(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 163237982

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine (CID 83127520) is 1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine is CC(N)c1ccc(Oc2ccc(F)cc2F)cn1.
What is the InChIKey of 1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine?
The InChIKey is MTVVPIRVFKBSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-8(16)12-4-3-10(7-17-12)18-13-5-2-9(14)6-11(13)15/h2-8H,16H2,1H3.
What are the key properties of 1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine?
1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine has a molecular weight of 250.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).