3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine

C15H13FN2O — CID 60801675

IUPAC3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cc(F)ccc1OCc1ccncc1
InChIInChI=1S/C15H13FN2O/c16-14-3-4-15(13(10-14)2-1-7-17)19-11-12-5-8-18-9-6-12/h3-6,8-10H,7,11,17H2
InChIKeyWCQDGBJXVJLGPB-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.11
Rot. Bonds3

About 3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine

3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine (PubChem CID 60801675) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
PubChem CID60801675
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cc(F)ccc1OCc1ccncc1
InChIInChI=1S/C15H13FN2O/c16-14-3-4-15(13(10-14)2-1-7-17)19-11-12-5-8-18-9-6-12/h3-6,8-10H,7,11,17H2
InChIKeyWCQDGBJXVJLGPB-UHFFFAOYSA-N
XLogP2.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine 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

4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
CID 60801715
3-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 54923523
3-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801672
3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 60801205
3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-amine
CID 107885421
2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 60802239
3-[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-amine
CID 61482091
3-[5-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 107051752
3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 60800603
3-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
CID 54923377
3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801508
3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 65181168

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine (CID 60801675) is 3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine is NCC#Cc1cc(F)ccc1OCc1ccncc1.
What is the InChIKey of 3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine?
The InChIKey is WCQDGBJXVJLGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-14-3-4-15(13(10-14)2-1-7-17)19-11-12-5-8-18-9-6-12/h3-6,8-10H,7,11,17H2.
What are the key properties of 3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine?
3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine has a molecular weight of 256.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 60801675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).