N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine

C13H15FN2S — CID 114254901

IUPACN-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cncc(F)c2)s1
InChIInChI=1S/C13H15FN2S/c1-2-5-15-9-12-3-4-13(17-12)10-6-11(14)8-16-7-10/h3-4,6-8,15H,2,5,9H2,1H3
InChIKeyVVZKUXAFOBMGQY-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.45
Rot. Bonds5

About N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine

N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 114254901) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID114254901
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cncc(F)c2)s1
InChIInChI=1S/C13H15FN2S/c1-2-5-15-9-12-3-4-13(17-12)10-6-11(14)8-16-7-10/h3-4,6-8,15H,2,5,9H2,1H3
InChIKeyVVZKUXAFOBMGQY-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287183
N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 62814080
N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408556
N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287243
N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43287188
N-[[5-(2,4,5-trichlorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287438
N-[[5-[4-bromo-3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]propan-1-amine
CID 64855339
N-[[5-(4-butylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287428
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43214098
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 107368901
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 104786719

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine (CID 114254901) is N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2cncc(F)c2)s1.
What is the InChIKey of N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is VVZKUXAFOBMGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-2-5-15-9-12-3-4-13(17-12)10-6-11(14)8-16-7-10/h3-4,6-8,15H,2,5,9H2,1H3.
What are the key properties of N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114254901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).