2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine

C20H25NO — CID 67499980

IUPAC2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine
SMILESNCCC1CCC(C(Cc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H25NO/c21-14-13-18-11-12-20(22-18)19(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-10,18-20H,11-15,21H2
InChIKeyWYDJYVDBBHWVLY-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.91
Rot. Bonds6

About 2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine

2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine (PubChem CID 67499980) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine
PubChem CID67499980
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine
SMILESNCCC1CCC(C(Cc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H25NO/c21-14-13-18-11-12-20(22-18)19(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-10,18-20H,11-15,21H2
InChIKeyWYDJYVDBBHWVLY-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine?
The IUPAC name of 2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine (CID 67499980) is 2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine is NCCC1CCC(C(Cc2ccccc2)c2ccccc2)O1.
What is the InChIKey of 2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine?
The InChIKey is WYDJYVDBBHWVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c21-14-13-18-11-12-20(22-18)19(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-10,18-20H,11-15,21H2.
What are the key properties of 2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine?
2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine has a molecular weight of 295.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine is sourced from PubChem (CID 67499980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).