1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine

C11H15NO2 — CID 54506116

IUPAC1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine
SMILESCC(N)C1(c2ccccc2)OCCO1
InChIInChI=1S/C11H15NO2/c1-9(12)11(13-7-8-14-11)10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3
InChIKeyYFVIIGAYEDJDRS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.23
Rot. Bonds2

About 1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine

1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine (PubChem CID 54506116) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine
PubChem CID54506116
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine
SMILESCC(N)C1(c2ccccc2)OCCO1
InChIInChI=1S/C11H15NO2/c1-9(12)11(13-7-8-14-11)10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3
InChIKeyYFVIIGAYEDJDRS-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine?
The IUPAC name of 1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine (CID 54506116) is 1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine?
The canonical SMILES for 1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine is CC(N)C1(c2ccccc2)OCCO1.
What is the InChIKey of 1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine?
The InChIKey is YFVIIGAYEDJDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(12)11(13-7-8-14-11)10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3.
What are the key properties of 1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine?
1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine has a molecular weight of 193.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1,3-dioxolan-2-yl)ethanamine is sourced from PubChem (CID 54506116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).