3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline

C11H15NO2 — CID 166611345

IUPAC3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline
SMILESCc1cccc(N)c1O[C@@H]1CCOC1
InChIInChI=1S/C11H15NO2/c1-8-3-2-4-10(12)11(8)14-9-5-6-13-7-9/h2-4,9H,5-7,12H2,1H3/t9-/m1/s1
InChIKeyPZPZAQFNWXJAOS-SECBINFHSA-N
MW193.25 g/mol
LogP1.74
Rot. Bonds2

About 3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline

3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline (PubChem CID 166611345) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline.

Molecular Properties

Compound Name3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline
PubChem CID166611345
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline
SMILESCc1cccc(N)c1O[C@@H]1CCOC1
InChIInChI=1S/C11H15NO2/c1-8-3-2-4-10(12)11(8)14-9-5-6-13-7-9/h2-4,9H,5-7,12H2,1H3/t9-/m1/s1
InChIKeyPZPZAQFNWXJAOS-SECBINFHSA-N
XLogP1.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(oxolan-3-yloxy)benzoic acid
CID 84688179
3-methyl-2-(oxolan-3-yloxy)benzoic acid
CID 112689928
2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline
CID 113369082
4-(oxolan-3-yloxy)naphthalen-1-amine
CID 63690299
N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 55218804
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
4-(oxolan-3-yloxy)quinolin-8-amine
CID 83061222
[3-methyl-2-(oxan-4-yloxy)phenyl]methanol
CID 112612396
2-methyl-3-(oxolan-3-yloxy)phenol
CID 63556982
5-methyl-2-(oxolan-3-yloxy)pyridin-4-amine
CID 83267067
3-amino-2-(oxan-4-yloxy)benzamide
CID 112579800
3-amino-2-(oxan-4-yloxy)benzoic acid
CID 84699973

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline?
The IUPAC name of 3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline (CID 166611345) is 3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline.
What is the SMILES notation for 3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline?
The canonical SMILES for 3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline is Cc1cccc(N)c1O[C@@H]1CCOC1.
What is the InChIKey of 3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline?
The InChIKey is PZPZAQFNWXJAOS-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-3-2-4-10(12)11(8)14-9-5-6-13-7-9/h2-4,9H,5-7,12H2,1H3/t9-/m1/s1.
What are the key properties of 3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline?
3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline has a molecular weight of 193.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline is sourced from PubChem (CID 166611345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).