(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol

C12H17NO2 — CID 93384487

IUPAC(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol
SMILESCc1ccc(C)c(N[C@@H]2COC[C@H]2O)c1
InChIInChI=1S/C12H17NO2/c1-8-3-4-9(2)10(5-8)13-11-6-15-7-12(11)14/h3-5,11-14H,6-7H2,1-2H3/t11-,12-/m1/s1
InChIKeyUWYQUGMZWYLPFU-VXGBXAGGSA-N
MW207.27 g/mol
LogP1.48
Rot. Bonds2

About (3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol

(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol (PubChem CID 93384487) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol
PubChem CID93384487
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol
SMILESCc1ccc(C)c(N[C@@H]2COC[C@H]2O)c1
InChIInChI=1S/C12H17NO2/c1-8-3-4-9(2)10(5-8)13-11-6-15-7-12(11)14/h3-5,11-14H,6-7H2,1-2H3/t11-,12-/m1/s1
InChIKeyUWYQUGMZWYLPFU-VXGBXAGGSA-N
XLogP1.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol
CID 15550734
4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919725
4-(4-methoxy-2-methylanilino)oxolan-3-ol
CID 62871149
(3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol
CID 126846659
2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91771798
2,5-dimethyl-N-(2-phenylcyclohexyl)aniline
CID 43765908
4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919708
4-(2-chloro-4-iodoanilino)oxolan-3-ol
CID 107606411
4-(4-bromo-2-fluoroanilino)oxolan-3-ol
CID 60898846
(3S,4R)-4-anilinooxolan-3-ol
CID 93383619
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol
CID 81355689
4-(naphthalen-1-ylamino)oxolan-3-ol
CID 60898015

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol (CID 93384487) is (3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol is Cc1ccc(C)c(N[C@@H]2COC[C@H]2O)c1.
What is the InChIKey of (3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol?
The InChIKey is UWYQUGMZWYLPFU-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-3-4-9(2)10(5-8)13-11-6-15-7-12(11)14/h3-5,11-14H,6-7H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol?
(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol has a molecular weight of 207.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol is sourced from PubChem (CID 93384487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).