(3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol

C15H21F2NO2 — CID 99820767

IUPAC(3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol
SMILESCC(C)[C@@H](NC[C@]1(O)CCOC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-10(2)14(11-3-4-12(16)13(17)7-11)18-8-15(19)5-6-20-9-15/h3-4,7,10,14,18-19H,5-6,8-9H2,1-2H3/t14-,15-/m1/s1
InChIKeySATYAFVVHBLRBC-HUUCEWRRSA-N
MW285.33 g/mol
LogP2.40
Rot. Bonds5

About (3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol

(3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol (PubChem CID 99820767) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is (3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name(3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol
PubChem CID99820767
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name(3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol
SMILESCC(C)[C@@H](NC[C@]1(O)CCOC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-10(2)14(11-3-4-12(16)13(17)7-11)18-8-15(19)5-6-20-9-15/h3-4,7,10,14,18-19H,5-6,8-9H2,1-2H3/t14-,15-/m1/s1
InChIKeySATYAFVVHBLRBC-HUUCEWRRSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine
CID 99777290
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
CID 103904838
(3R)-3-[[[(1R)-1-(4-bromo-3-methylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 100679283
3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
CID 103904763
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]oxolan-3-ol
CID 103904784
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
CID 114143445

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol?
The IUPAC name of (3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol (CID 99820767) is (3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for (3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for (3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol is CC(C)[C@@H](NC[C@]1(O)CCOC1)c1ccc(F)c(F)c1.
What is the InChIKey of (3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol?
The InChIKey is SATYAFVVHBLRBC-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-10(2)14(11-3-4-12(16)13(17)7-11)18-8-15(19)5-6-20-9-15/h3-4,7,10,14,18-19H,5-6,8-9H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol?
(3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol has a molecular weight of 285.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 99820767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).