[6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride

C11H17ClF2N2O — CID 87426175

IUPAC[6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride
SMILESCC(C)c1cc(CN)cnc1OCC(F)F.Cl
InChIInChI=1S/C11H16F2N2O.ClH/c1-7(2)9-3-8(4-14)5-15-11(9)16-6-10(12)13;/h3,5,7,10H,4,6,14H2,1-2H3;1H
InChIKeyBVQWEDPJRRPROW-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.73
Rot. Bonds5

About [6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride

[6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride (PubChem CID 87426175) has the molecular formula C11H17ClF2N2O and a molecular weight of 266.72 g/mol. Its IUPAC name is [6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride
PubChem CID87426175
Molecular FormulaC11H17ClF2N2O
Molecular Weight266.72 g/mol
Exact Mass266.10
IUPAC Name[6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride
SMILESCC(C)c1cc(CN)cnc1OCC(F)F.Cl
InChIInChI=1S/C11H16F2N2O.ClH/c1-7(2)9-3-8(4-14)5-15-11(9)16-6-10(12)13;/h3,5,7,10H,4,6,14H2,1-2H3;1H
InChIKeyBVQWEDPJRRPROW-UHFFFAOYSA-N
XLogP2.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride (CID 87426175) is [6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride is CC(C)c1cc(CN)cnc1OCC(F)F.Cl.
What is the InChIKey of [6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride?
The InChIKey is BVQWEDPJRRPROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O.ClH/c1-7(2)9-3-8(4-14)5-15-11(9)16-6-10(12)13;/h3,5,7,10H,4,6,14H2,1-2H3;1H.
What are the key properties of [6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride?
[6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride has a molecular weight of 266.72 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2-difluoroethoxy)-5-propan-2-yl-3-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 87426175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).