5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine

C13H18F2N2O3 — CID 97138326

IUPAC5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine
SMILESC[C@@H](CO[C@@H]1CCOC1)Nc1ccc(OC(F)F)cn1
InChIInChI=1S/C13H18F2N2O3/c1-9(7-19-11-4-5-18-8-11)17-12-3-2-10(6-16-12)20-13(14)15/h2-3,6,9,11,13H,4-5,7-8H2,1H3,(H,16,17)/t9-,11+/m0/s1
InChIKeyDSHFAJDNMHUDTE-GXSJLCMTSA-N
MW288.29 g/mol
LogP2.29
Rot. Bonds7

About 5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine

5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine (PubChem CID 97138326) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine
PubChem CID97138326
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine
SMILESC[C@@H](CO[C@@H]1CCOC1)Nc1ccc(OC(F)F)cn1
InChIInChI=1S/C13H18F2N2O3/c1-9(7-19-11-4-5-18-8-11)17-12-3-2-10(6-16-12)20-13(14)15/h2-3,6,9,11,13H,4-5,7-8H2,1H3,(H,16,17)/t9-,11+/m0/s1
InChIKeyDSHFAJDNMHUDTE-GXSJLCMTSA-N
XLogP2.29
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine with MolForge

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Related Compounds

2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine
CID 133348335
6-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133348443
N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133348423
6-cyclohexyloxy-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrazin-2-amine
CID 133485988
5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine
CID 133348324
6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine
CID 125136142
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
8-nitro-N-[1-(oxolan-3-yloxy)propan-2-yl]isoquinolin-5-amine
CID 133348413
5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133348299
N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine
CID 115727519
3-nitro-4-[1-(oxolan-3-yloxy)propan-2-ylamino]benzonitrile
CID 133348419
4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide
CID 124574185

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine?
The IUPAC name of 5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine (CID 97138326) is 5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine is C[C@@H](CO[C@@H]1CCOC1)Nc1ccc(OC(F)F)cn1.
What is the InChIKey of 5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine?
The InChIKey is DSHFAJDNMHUDTE-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-9(7-19-11-4-5-18-8-11)17-12-3-2-10(6-16-12)20-13(14)15/h2-3,6,9,11,13H,4-5,7-8H2,1H3,(H,16,17)/t9-,11+/m0/s1.
What are the key properties of 5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine?
5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine has a molecular weight of 288.29 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine is sourced from PubChem (CID 97138326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).