1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride

C10H15ClF2N2O2 — CID 87427103

IUPAC1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride
SMILESCOc1nc(OCC(F)F)ccc1C(C)N.Cl
InChIInChI=1S/C10H14F2N2O2.ClH/c1-6(13)7-3-4-9(14-10(7)15-2)16-5-8(11)12;/h3-4,6,8H,5,13H2,1-2H3;1H
InChIKeyHQJXBNXSABAKCE-UHFFFAOYSA-N
MW268.69 g/mol
LogP2.18
Rot. Bonds5

About 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride

1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride (PubChem CID 87427103) has the molecular formula C10H15ClF2N2O2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride
PubChem CID87427103
Molecular FormulaC10H15ClF2N2O2
Molecular Weight268.69 g/mol
Exact Mass268.08
IUPAC Name1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride
SMILESCOc1nc(OCC(F)F)ccc1C(C)N.Cl
InChIInChI=1S/C10H14F2N2O2.ClH/c1-6(13)7-3-4-9(14-10(7)15-2)16-5-8(11)12;/h3-4,6,8H,5,13H2,1-2H3;1H
InChIKeyHQJXBNXSABAKCE-UHFFFAOYSA-N
XLogP2.18
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride?
The IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride (CID 87427103) is 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride is COc1nc(OCC(F)F)ccc1C(C)N.Cl.
What is the InChIKey of 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride?
The InChIKey is HQJXBNXSABAKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2.ClH/c1-6(13)7-3-4-9(14-10(7)15-2)16-5-8(11)12;/h3-4,6,8H,5,13H2,1-2H3;1H.
What are the key properties of 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride?
1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride has a molecular weight of 268.69 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride is sourced from PubChem (CID 87427103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).