2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline

C16H25NO2 — CID 102902556

IUPAC2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline
SMILESCC1(C)CC(OCCc2ccccc2N)C(C)(C)O1
InChIInChI=1S/C16H25NO2/c1-15(2)11-14(16(3,4)19-15)18-10-9-12-7-5-6-8-13(12)17/h5-8,14H,9-11,17H2,1-4H3
InChIKeyHVUZZQOVGHSKHV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline

2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline (PubChem CID 102902556) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline.

Molecular Properties

Compound Name2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline
PubChem CID102902556
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline
SMILESCC1(C)CC(OCCc2ccccc2N)C(C)(C)O1
InChIInChI=1S/C16H25NO2/c1-15(2)11-14(16(3,4)19-15)18-10-9-12-7-5-6-8-13(12)17/h5-8,14H,9-11,17H2,1-4H3
InChIKeyHVUZZQOVGHSKHV-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.17
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-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline?
The IUPAC name of 2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline (CID 102902556) is 2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline.
What is the SMILES notation for 2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline?
The canonical SMILES for 2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline is CC1(C)CC(OCCc2ccccc2N)C(C)(C)O1.
What is the InChIKey of 2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline?
The InChIKey is HVUZZQOVGHSKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2)11-14(16(3,4)19-15)18-10-9-12-7-5-6-8-13(12)17/h5-8,14H,9-11,17H2,1-4H3.
What are the key properties of 2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline?
2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline has a molecular weight of 263.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyethyl]aniline is sourced from PubChem (CID 102902556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).