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

C13H20FN3 — CID 114035146

IUPACN-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)cnc1N1CCCC1
InChIInChI=1S/C13H20FN3/c1-10(2)15-8-11-7-12(14)9-16-13(11)17-5-3-4-6-17/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyKCVJVGJTWALFLA-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.32
Rot. Bonds4

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

N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 114035146) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
PubChem CID114035146
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)cnc1N1CCCC1
InChIInChI=1S/C13H20FN3/c1-10(2)15-8-11-7-12(14)9-16-13(11)17-5-3-4-6-17/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyKCVJVGJTWALFLA-UHFFFAOYSA-N
XLogP2.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62285747
1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 114035444
N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine
CID 114035285
N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
CID 112676134
N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 114035738
[2-(4,4-dimethylazepan-1-yl)-5-fluoro-3-pyridinyl]methanamine
CID 114035391
N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62281374
N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62284579
N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419
N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 106316599
N-[[2-(4-ethylpiperazin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388897
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol
CID 81103994

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine (CID 114035146) is N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine is CC(C)NCc1cc(F)cnc1N1CCCC1.
What is the InChIKey of N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is KCVJVGJTWALFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-10(2)15-8-11-7-12(14)9-16-13(11)17-5-3-4-6-17/h7,9-10,15H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 237.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 114035146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).