2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine

C11H17FN2 — CID 83129735

IUPAC2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2/c1-3-6-13-7-9(2)11-5-4-10(12)8-14-11/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyHJSIQQWRXFYZPL-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.32
Rot. Bonds5

About 2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine

2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine (PubChem CID 83129735) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine
PubChem CID83129735
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2/c1-3-6-13-7-9(2)11-5-4-10(12)8-14-11/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyHJSIQQWRXFYZPL-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine
CID 79712711
N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine
CID 166395521
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 83126490
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115941126
N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713087
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713772
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83125854
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine
CID 83119801

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine (CID 83129735) is 2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine is CCCNCC(C)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine?
The InChIKey is HJSIQQWRXFYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-6-13-7-9(2)11-5-4-10(12)8-14-11/h4-5,8-9,13H,3,6-7H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine?
2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine has a molecular weight of 196.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine is sourced from PubChem (CID 83129735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).