2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline

C14H21NO2 — CID 113369082

IUPAC2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline
SMILESCc1cccc(N)c1OC1CC(C)OC(C)C1
InChIInChI=1S/C14H21NO2/c1-9-5-4-6-13(15)14(9)17-12-7-10(2)16-11(3)8-12/h4-6,10-12H,7-8,15H2,1-3H3
InChIKeyQSZUAOVIDRNILU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.91
Rot. Bonds2

About 2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline

2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline (PubChem CID 113369082) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline.

Molecular Properties

Compound Name2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline
PubChem CID113369082
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline
SMILESCc1cccc(N)c1OC1CC(C)OC(C)C1
InChIInChI=1S/C14H21NO2/c1-9-5-4-6-13(15)14(9)17-12-7-10(2)16-11(3)8-12/h4-6,10-12H,7-8,15H2,1-3H3
InChIKeyQSZUAOVIDRNILU-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline?
The IUPAC name of 2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline (CID 113369082) is 2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline.
What is the SMILES notation for 2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline?
The canonical SMILES for 2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline is Cc1cccc(N)c1OC1CC(C)OC(C)C1.
What is the InChIKey of 2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline?
The InChIKey is QSZUAOVIDRNILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-5-4-6-13(15)14(9)17-12-7-10(2)16-11(3)8-12/h4-6,10-12H,7-8,15H2,1-3H3.
What are the key properties of 2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline?
2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline has a molecular weight of 235.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyloxan-4-yl)oxy-3-methylaniline is sourced from PubChem (CID 113369082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).