1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine

C10H17F3N2O — CID 146538110

IUPAC1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine
SMILESCC(N)[C@]1(C)C=CC(OCC(F)(F)F)CN1
InChIInChI=1S/C10H17F3N2O/c1-7(14)9(2)4-3-8(5-15-9)16-6-10(11,12)13/h3-4,7-8,15H,5-6,14H2,1-2H3/t7?,8?,9-/m0/s1
InChIKeyVRLUAPFLKFJFRY-HACHORDNSA-N
MW238.25 g/mol
LogP1.20
Rot. Bonds3

About 1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine

1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine (PubChem CID 146538110) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine.

Molecular Properties

Compound Name1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine
PubChem CID146538110
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine
SMILESCC(N)[C@]1(C)C=CC(OCC(F)(F)F)CN1
InChIInChI=1S/C10H17F3N2O/c1-7(14)9(2)4-3-8(5-15-9)16-6-10(11,12)13/h3-4,7-8,15H,5-6,14H2,1-2H3/t7?,8?,9-/m0/s1
InChIKeyVRLUAPFLKFJFRY-HACHORDNSA-N
XLogP1.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine?
The IUPAC name of 1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine (CID 146538110) is 1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine.
What is the SMILES notation for 1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine?
The canonical SMILES for 1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine is CC(N)[C@]1(C)C=CC(OCC(F)(F)F)CN1.
What is the InChIKey of 1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine?
The InChIKey is VRLUAPFLKFJFRY-HACHORDNSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7(14)9(2)4-3-8(5-15-9)16-6-10(11,12)13/h3-4,7-8,15H,5-6,14H2,1-2H3/t7?,8?,9-/m0/s1.
What are the key properties of 1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine?
1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine has a molecular weight of 238.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-methyl-3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyridin-6-yl]ethanamine is sourced from PubChem (CID 146538110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).