N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride

C12H17ClF3N3O2 — CID 158096441

IUPACN-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
SMILESCNc1ccc(OCC(F)(F)F)nc1N1CCOCC1.Cl
InChIInChI=1S/C12H16F3N3O2.ClH/c1-16-9-2-3-10(20-8-12(13,14)15)17-11(9)18-4-6-19-7-5-18;/h2-3,16H,4-8H2,1H3;1H
InChIKeyOTJFHBONTOFCSE-UHFFFAOYSA-N
MW327.73 g/mol
LogP2.32
Rot. Bonds4

About N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride

N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride (PubChem CID 158096441) has the molecular formula C12H17ClF3N3O2 and a molecular weight of 327.73 g/mol. Its IUPAC name is N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
PubChem CID158096441
Molecular FormulaC12H17ClF3N3O2
Molecular Weight327.73 g/mol
Exact Mass327.10
IUPAC NameN-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
SMILESCNc1ccc(OCC(F)(F)F)nc1N1CCOCC1.Cl
InChIInChI=1S/C12H16F3N3O2.ClH/c1-16-9-2-3-10(20-8-12(13,14)15)17-11(9)18-4-6-19-7-5-18;/h2-3,16H,4-8H2,1H3;1H
InChIKeyOTJFHBONTOFCSE-UHFFFAOYSA-N
XLogP2.32
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The IUPAC name of N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride (CID 158096441) is N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride is CNc1ccc(OCC(F)(F)F)nc1N1CCOCC1.Cl.
What is the InChIKey of N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The InChIKey is OTJFHBONTOFCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2.ClH/c1-16-9-2-3-10(20-8-12(13,14)15)17-11(9)18-4-6-19-7-5-18;/h2-3,16H,4-8H2,1H3;1H.
What are the key properties of N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride has a molecular weight of 327.73 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride is sourced from PubChem (CID 158096441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).