3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine

C12H17FN2 — CID 105157890

IUPAC3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
SMILESCNC(CCC1CC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2/c1-14-12(5-4-9-2-3-9)10-6-11(13)8-15-7-10/h6-9,12,14H,2-5H2,1H3
InChIKeyUMYKMRHQIQARAA-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.67
Rot. Bonds5

About 3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine

3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine (PubChem CID 105157890) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
PubChem CID105157890
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
SMILESCNC(CCC1CC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2/c1-14-12(5-4-9-2-3-9)10-6-11(13)8-15-7-10/h6-9,12,14H,2-5H2,1H3
InChIKeyUMYKMRHQIQARAA-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-N-methyl-1-pyrimidin-5-ylpropan-1-amine
CID 102923524
1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105102526
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 65144532
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-methylpropan-1-amine
CID 105025992
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine
CID 114330463
2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 54967680
1-(5-fluoro-3-pyridinyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115804514
2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 115805337
N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115804158
1-(5-fluoro-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424527
2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105139329

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine (CID 105157890) is 3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine is CNC(CCC1CC1)c1cncc(F)c1.
What is the InChIKey of 3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine?
The InChIKey is UMYKMRHQIQARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-14-12(5-4-9-2-3-9)10-6-11(13)8-15-7-10/h6-9,12,14H,2-5H2,1H3.
What are the key properties of 3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine?
3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine has a molecular weight of 208.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine is sourced from PubChem (CID 105157890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).