2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine

C11H15NO2 — CID 54217191

IUPAC2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(C2OCCO2)cc1
InChIInChI=1S/C11H15NO2/c12-6-5-9-1-3-10(4-2-9)11-13-7-8-14-11/h1-4,11H,5-8,12H2
InChIKeyQAAOPJBKFJVVPW-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.23
Rot. Bonds3

About 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine

2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine (PubChem CID 54217191) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine
PubChem CID54217191
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(C2OCCO2)cc1
InChIInChI=1S/C11H15NO2/c12-6-5-9-1-3-10(4-2-9)11-13-7-8-14-11/h1-4,11H,5-8,12H2
InChIKeyQAAOPJBKFJVVPW-UHFFFAOYSA-N
XLogP1.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine (CID 54217191) is 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine is NCCc1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine?
The InChIKey is QAAOPJBKFJVVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-6-5-9-1-3-10(4-2-9)11-13-7-8-14-11/h1-4,11H,5-8,12H2.
What are the key properties of 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine?
2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine has a molecular weight of 193.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 54217191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).