2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride

C8H12ClFN2 — CID 84662951

IUPAC2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride
SMILESCC(CN)c1ccncc1F.Cl
InChIInChI=1S/C8H11FN2.ClH/c1-6(4-10)7-2-3-11-5-8(7)9;/h2-3,5-6H,4,10H2,1H3;1H
InChIKeyDKLGRZPFDTVGIG-UHFFFAOYSA-N
MW190.65 g/mol
LogP1.70
Rot. Bonds2

About 2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride

2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride (PubChem CID 84662951) has the molecular formula C8H12ClFN2 and a molecular weight of 190.65 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride
PubChem CID84662951
Molecular FormulaC8H12ClFN2
Molecular Weight190.65 g/mol
Exact Mass190.07
IUPAC Name2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride
SMILESCC(CN)c1ccncc1F.Cl
InChIInChI=1S/C8H11FN2.ClH/c1-6(4-10)7-2-3-11-5-8(7)9;/h2-3,5-6H,4,10H2,1H3;1H
InChIKeyDKLGRZPFDTVGIG-UHFFFAOYSA-N
XLogP1.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 104739416
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine
CID 104739414
4-(3-bromobutan-2-yl)-3-fluoropyridine
CID 104738939
1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105038344
(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038108
1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
CID 104737985
[2-ethyl-1-(3-fluoro-4-pyridinyl)butyl]hydrazine
CID 105258507
N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine
CID 130616226
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride (CID 84662951) is 2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride is CC(CN)c1ccncc1F.Cl.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride?
The InChIKey is DKLGRZPFDTVGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2.ClH/c1-6(4-10)7-2-3-11-5-8(7)9;/h2-3,5-6H,4,10H2,1H3;1H.
What are the key properties of 2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride?
2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride has a molecular weight of 190.65 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 84662951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).