2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol

C17H27NO2 — CID 115938376

IUPAC2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol
SMILESCC1(C)CC(N(CCO)Cc2ccccc2)C(C)(C)O1
InChIInChI=1S/C17H27NO2/c1-16(2)12-15(17(3,4)20-16)18(10-11-19)13-14-8-6-5-7-9-14/h5-9,15,19H,10-13H2,1-4H3
InChIKeyYBORLNXCGJBEPL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.83
Rot. Bonds5

About 2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol

2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol (PubChem CID 115938376) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol
PubChem CID115938376
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol
SMILESCC1(C)CC(N(CCO)Cc2ccccc2)C(C)(C)O1
InChIInChI=1S/C17H27NO2/c1-16(2)12-15(17(3,4)20-16)18(10-11-19)13-14-8-6-5-7-9-14/h5-9,15,19H,10-13H2,1-4H3
InChIKeyYBORLNXCGJBEPL-UHFFFAOYSA-N
XLogP2.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol?
The IUPAC name of 2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol (CID 115938376) is 2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol?
The canonical SMILES for 2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol is CC1(C)CC(N(CCO)Cc2ccccc2)C(C)(C)O1.
What is the InChIKey of 2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol?
The InChIKey is YBORLNXCGJBEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2)12-15(17(3,4)20-16)18(10-11-19)13-14-8-6-5-7-9-14/h5-9,15,19H,10-13H2,1-4H3.
What are the key properties of 2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol?
2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol is sourced from PubChem (CID 115938376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).