4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol

C13H19NO2 — CID 115919725

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

About 4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol

4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol (PubChem CID 115919725) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol
PubChem CID115919725
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol
SMILESCc1ccc(C)c(CNC2COCC2O)c1
InChIInChI=1S/C13H19NO2/c1-9-3-4-10(2)11(5-9)6-14-12-7-16-8-13(12)15/h3-5,12-15H,6-8H2,1-2H3
InChIKeyBCJYTMXEWJBQIL-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

Analyze 4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 62358499
4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919708
2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91771798
(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol
CID 93384487
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671674
N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701269
(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol
CID 94466425
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 155915771
(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol
CID 86315428
2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135094048
tert-butyl N-[2-[(2,5-dimethylphenyl)methylamino]cyclopropyl]carbamate
CID 107237951

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol?
The IUPAC name of 4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol (CID 115919725) is 4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol is Cc1ccc(C)c(CNC2COCC2O)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol?
The InChIKey is BCJYTMXEWJBQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-3-4-10(2)11(5-9)6-14-12-7-16-8-13(12)15/h3-5,12-15H,6-8H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol?
4-[(2,5-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-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol is sourced from PubChem (CID 115919725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).