(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine

C8H15FN2 — CID 130948303

IUPAC(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCC=C(F)C1
InChIInChI=1S/C8H15FN2/c1-7(10)5-11-4-2-3-8(9)6-11/h3,7H,2,4-6,10H2,1H3/t7-/m0/s1
InChIKeyJAKMITZYNHPGNM-ZETCQYMHSA-N
MW158.22 g/mol
LogP0.89
Rot. Bonds2

About (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine

(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine (PubChem CID 130948303) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
PubChem CID130948303
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCC=C(F)C1
InChIInChI=1S/C8H15FN2/c1-7(10)5-11-4-2-3-8(9)6-11/h3,7H,2,4-6,10H2,1H3/t7-/m0/s1
InChIKeyJAKMITZYNHPGNM-ZETCQYMHSA-N
XLogP0.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine (CID 130948303) is (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine is C[C@H](N)CN1CCC=C(F)C1.
What is the InChIKey of (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
The InChIKey is JAKMITZYNHPGNM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15FN2/c1-7(10)5-11-4-2-3-8(9)6-11/h3,7H,2,4-6,10H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine has a molecular weight of 158.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine is sourced from PubChem (CID 130948303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).