2-fluoro-N-(3-phenylprop-2-ynyl)aniline

C15H12FN — CID 55060373

IUPAC2-fluoro-N-(3-phenylprop-2-ynyl)aniline
SMILESFc1ccccc1NCC#Cc1ccccc1
InChIInChI=1S/C15H12FN/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,12H2
InChIKeyGOJLNQZXXZYANH-UHFFFAOYSA-N
MW225.27 g/mol
LogP3.29
Rot. Bonds2

About 2-fluoro-N-(3-phenylprop-2-ynyl)aniline

2-fluoro-N-(3-phenylprop-2-ynyl)aniline (PubChem CID 55060373) has the molecular formula C15H12FN and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-fluoro-N-(3-phenylprop-2-ynyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(3-phenylprop-2-ynyl)aniline
PubChem CID55060373
Molecular FormulaC15H12FN
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Name2-fluoro-N-(3-phenylprop-2-ynyl)aniline
SMILESFc1ccccc1NCC#Cc1ccccc1
InChIInChI=1S/C15H12FN/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,12H2
InChIKeyGOJLNQZXXZYANH-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylprop-2-ynyl)naphthalen-1-amine
CID 62340347
N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62341214
N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 62341212
2,5-dibromo-N-(3-phenylprop-2-ynyl)aniline
CID 63492916
2,5-dichloro-4-methyl-N-(3-phenylprop-2-ynyl)aniline
CID 104726759
3-bromo-2-(methoxymethyl)-N-(3-phenylprop-2-ynyl)aniline
CID 62340357
1-fluoro-2-(3-phenylprop-2-ynyl)benzene
CID 46894531
2,6-dibromo-N-(3-phenylprop-2-ynyl)aniline
CID 107598980
2-methyl-1-N-(3-phenylprop-2-ynyl)propane-1,2-diamine
CID 102014487
3-bromo-4-(3-phenylprop-2-ynylamino)benzonitrile
CID 107789761
2-chloro-5-methoxy-N-(3-phenylprop-2-ynyl)aniline
CID 62339525
2,4-dibromo-5-methoxy-N-(3-phenylprop-2-ynyl)aniline
CID 103412776

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-phenylprop-2-ynyl)aniline?
The IUPAC name of 2-fluoro-N-(3-phenylprop-2-ynyl)aniline (CID 55060373) is 2-fluoro-N-(3-phenylprop-2-ynyl)aniline.
What is the SMILES notation for 2-fluoro-N-(3-phenylprop-2-ynyl)aniline?
The canonical SMILES for 2-fluoro-N-(3-phenylprop-2-ynyl)aniline is Fc1ccccc1NCC#Cc1ccccc1.
What is the InChIKey of 2-fluoro-N-(3-phenylprop-2-ynyl)aniline?
The InChIKey is GOJLNQZXXZYANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,12H2.
What are the key properties of 2-fluoro-N-(3-phenylprop-2-ynyl)aniline?
2-fluoro-N-(3-phenylprop-2-ynyl)aniline has a molecular weight of 225.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-phenylprop-2-ynyl)aniline is sourced from PubChem (CID 55060373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).