4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol

C13H19NO2 — CID 115919708

IUPAC4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol
SMILESCc1ccc(CNC2COCC2O)cc1C
InChIInChI=1S/C13H19NO2/c1-9-3-4-11(5-10(9)2)6-14-12-7-16-8-13(12)15/h3-5,12-15H,6-8H2,1-2H3
InChIKeyFMYPEUDJJQXEMV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.15
Rot. Bonds3

About 4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol

4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol (PubChem CID 115919708) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol
PubChem CID115919708
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol
SMILESCc1ccc(CNC2COCC2O)cc1C
InChIInChI=1S/C13H19NO2/c1-9-3-4-11(5-10(9)2)6-14-12-7-16-8-13(12)15/h3-5,12-15H,6-8H2,1-2H3
InChIKeyFMYPEUDJJQXEMV-UHFFFAOYSA-N
XLogP1.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919725
(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol
CID 86315428
(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
CID 93384215
4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol
CID 107230514
(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
CID 93384643
N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908240
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711594
(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol
CID 94466425
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701214
(1R,2S)-1-[(3,4-dimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463366
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol?
The IUPAC name of 4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol (CID 115919708) is 4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol?
The canonical SMILES for 4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol is Cc1ccc(CNC2COCC2O)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol?
The InChIKey is FMYPEUDJJQXEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-3-4-11(5-10(9)2)6-14-12-7-16-8-13(12)15/h3-5,12-15H,6-8H2,1-2H3.
What are the key properties of 4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol?
4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol is sourced from PubChem (CID 115919708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).