2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine

C82H121F11N10O6 — CID 157077128

About 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine

2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine (PubChem CID 157077128) has the molecular formula C82H121F11N10O6 and a molecular weight of 1551.91 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine.

Molecular Properties

• Compound Name: 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine
• PubChem CID: 157077128
• Molecular Formula: C82H121F11N10O6
• Molecular Weight: 1551.91 g/mol
• Exact Mass: 1550.93
• IUPAC Name: 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine
• SMILES: CC(C)c1ccc(C2CCOC2)c(CN(C)CC(F)(F)F)n1.CC(C)c1ccc(C2CCOC2)c(CN(C)CC(F)F)n1.CC(C)c1ccc([C@@H]2CCOC2)c(CN(C)CC(F)(F)F)n1.CC(C)c1ccc([C@H]2CCOC2)c(CN(C)CC(F)(F)F)n1.CO[C@@H]1CCN(Cc2nc(C(C)C)ccc2C2CCOC2)C1
• InChI: InChI=1S/C18H28N2O2.3C16H23F3N2O.C16H24F2N2O/c1-13(2)17-5-4-16(14-7-9-22-12-14)18(19-17)11-20-8-6-15(10-20)21-3;3*1-11(2)14-5-4-13(12-6-7-22-9-12)15(20-14)8-21(3)10-16(17,18)19;1-11(2)14-5-4-13(12-6-7-21-10-12)15(19-14)8-20(3)9-16(17)18/h4-5,13-15H,6-12H2,1-3H3;3*4-5,11-12H,6-10H2,1-3H3;4-5,11-12,16H,6-10H2,1-3H3/t14?,15-;2*12-;;/m110../s1
• InChIKey: ADCGFIDVVAJYDP-FHFJBLRVSA-N
• XLogP: 17.44
• TPSA: 136.03 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1551.91
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine?

The IUPAC name of 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine (CID 157077128) is 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine.

What is the SMILES notation for 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine?

The canonical SMILES for 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine is CC(C)c1ccc(C2CCOC2)c(CN(C)CC(F)(F)F)n1.CC(C)c1ccc(C2CCOC2)c(CN(C)CC(F)F)n1.CC(C)c1ccc([C@@H]2CCOC2)c(CN(C)CC(F)(F)F)n1.CC(C)c1ccc([C@H]2CCOC2)c(CN(C)CC(F)(F)F)n1.CO[C@@H]1CCN(Cc2nc(C(C)C)ccc2C2CCOC2)C1.

What is the InChIKey of 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine?

The InChIKey is ADCGFIDVVAJYDP-FHFJBLRVSA-N. The full InChI is InChI=1S/C18H28N2O2.3C16H23F3N2O.C16H24F2N2O/c1-13(2)17-5-4-16(14-7-9-22-12-14)18(19-17)11-20-8-6-15(10-20)21-3;3*1-11(2)14-5-4-13(12-6-7-22-9-12)15(20-14)8-21(3)10-16(17,18)19;1-11(2)14-5-4-13(12-6-7-21-10-12)15(19-14)8-20(3)9-16(17)18/h4-5,13-15H,6-12H2,1-3H3;3*4-5,11-12H,6-10H2,1-3H3;4-5,11-12,16H,6-10H2,1-3H3/t14?,15-;2*12-;;/m110../s1.

What are the key properties of 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine?

2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine has a molecular weight of 1551.91 g/mol, XLogP of 17.44, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2,2,2-trifluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2,2-trifluoro-N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 157077128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).