1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride

C8H13Cl2FN2O — CID 162422590

IUPAC1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
SMILESCOc1ncc(F)cc1C(C)N.Cl.Cl
InChIInChI=1S/C8H11FN2O.2ClH/c1-5(10)7-3-6(9)4-11-8(7)12-2;;/h3-5H,10H2,1-2H3;2*1H
InChIKeyBWLSRPZVZFMCHD-UHFFFAOYSA-N
MW243.11 g/mol
LogP2.09
Rot. Bonds2

About 1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride

1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride (PubChem CID 162422590) has the molecular formula C8H13Cl2FN2O and a molecular weight of 243.11 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
PubChem CID162422590
Molecular FormulaC8H13Cl2FN2O
Molecular Weight243.11 g/mol
Exact Mass242.04
IUPAC Name1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
SMILESCOc1ncc(F)cc1C(C)N.Cl.Cl
InChIInChI=1S/C8H11FN2O.2ClH/c1-5(10)7-3-6(9)4-11-8(7)12-2;;/h3-5H,10H2,1-2H3;2*1H
InChIKeyBWLSRPZVZFMCHD-UHFFFAOYSA-N
XLogP2.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine
CID 147248052
[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl] acetate
CID 168936041
1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine
CID 133059607
3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine
CID 168935703
5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine
CID 168936172
1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl diphenyl phosphate
CID 168936093
1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine
CID 165147934
3-tert-butyl-5-fluoro-2-methoxypyridine
CID 126576651
N-amino-N-(5-fluoro-2-methoxy-3-pyridinyl)hydroxylamine
CID 164593678
1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid
CID 168936037
1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 154727553
1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine
CID 84678560

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride?
The IUPAC name of 1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride (CID 162422590) is 1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride is COc1ncc(F)cc1C(C)N.Cl.Cl.
What is the InChIKey of 1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride?
The InChIKey is BWLSRPZVZFMCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O.2ClH/c1-5(10)7-3-6(9)4-11-8(7)12-2;;/h3-5H,10H2,1-2H3;2*1H.
What are the key properties of 1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride?
1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride has a molecular weight of 243.11 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride is sourced from PubChem (CID 162422590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).