1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine

C13H13FN2 — CID 104738782

IUPAC1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccncc2F)cc1
InChIInChI=1S/C13H13FN2/c1-9(15)10-2-4-11(5-3-10)12-6-7-16-8-13(12)14/h2-9H,15H2,1H3
InChIKeyXIJHCJYSRQAMFU-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.91
Rot. Bonds2

About 1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine

1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine (PubChem CID 104738782) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine
PubChem CID104738782
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccncc2F)cc1
InChIInChI=1S/C13H13FN2/c1-9(15)10-2-4-11(5-3-10)12-6-7-16-8-13(12)14/h2-9H,15H2,1H3
InChIKeyXIJHCJYSRQAMFU-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(3-fluoro-4-pyridinyl)phenyl]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

3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine
CID 113447308
1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride
CID 168665288
N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine
CID 104738829
3-fluoro-4-(4-pyridin-2-yloxyphenyl)pyridine
CID 166359932
ethane;1-[4-(5-pyrrol-1-ylisoquinolin-6-yl)phenyl]ethanamine
CID 143030931
1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 61034165
1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine
CID 143030915
ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine
CID 142237918
5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one
CID 164563764
1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
CID 82541956
4-(4-fluorophenyl)pyridin-3-amine
CID 82405156

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine (CID 104738782) is 1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine is CC(N)c1ccc(-c2ccncc2F)cc1.
What is the InChIKey of 1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine?
The InChIKey is XIJHCJYSRQAMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-9(15)10-2-4-11(5-3-10)12-6-7-16-8-13(12)14/h2-9H,15H2,1H3.
What are the key properties of 1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine?
1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine has a molecular weight of 216.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine is sourced from PubChem (CID 104738782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).