2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine

C17H16FNO — CID 115957965

IUPAC2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCC#Cc1ccccc1
InChIInChI=1S/C17H16FNO/c18-16-10-4-9-15(11-12-19)17(16)20-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10H,11-13,19H2
InChIKeyJOLXFTAHUFXIHI-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.76
Rot. Bonds4

About 2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine

2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine (PubChem CID 115957965) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
PubChem CID115957965
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCC#Cc1ccccc1
InChIInChI=1S/C17H16FNO/c18-16-10-4-9-15(11-12-19)17(16)20-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10H,11-13,19H2
InChIKeyJOLXFTAHUFXIHI-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-fluoro-2-(3-phenylprop-2-ynoxy)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

2-[2-chloro-6-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 114321429
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 115957951
1-fluoro-2-(3-phenylprop-2-ynyl)benzene
CID 46894531
2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine
CID 106930366
2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 107713342
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272
2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 142548631
1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine
CID 62340507
1-ethyl-2-(3-phenylprop-2-ynoxy)benzene
CID 64765483

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine (CID 115957965) is 2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine is NCCc1cccc(F)c1OCC#Cc1ccccc1.
What is the InChIKey of 2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The InChIKey is JOLXFTAHUFXIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-16-10-4-9-15(11-12-19)17(16)20-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10H,11-13,19H2.
What are the key properties of 2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine has a molecular weight of 269.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine is sourced from PubChem (CID 115957965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).