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

C11H14ClNO2 — CID 82158926

IUPAC2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine
SMILESNCCC1OCC(c2cccc(Cl)c2)O1
InChIInChI=1S/C11H14ClNO2/c12-9-3-1-2-8(6-9)10-7-14-11(15-10)4-5-13/h1-3,6,10-11H,4-5,7,13H2
InChIKeyQBSVGDUMKJVCNM-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.10
Rot. Bonds3

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

2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine (PubChem CID 82158926) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine
PubChem CID82158926
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine
SMILESNCCC1OCC(c2cccc(Cl)c2)O1
InChIInChI=1S/C11H14ClNO2/c12-9-3-1-2-8(6-9)10-7-14-11(15-10)4-5-13/h1-3,6,10-11H,4-5,7,13H2
InChIKeyQBSVGDUMKJVCNM-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine?
The IUPAC name of 2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine (CID 82158926) is 2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine is NCCC1OCC(c2cccc(Cl)c2)O1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine?
The InChIKey is QBSVGDUMKJVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-3-1-2-8(6-9)10-7-14-11(15-10)4-5-13/h1-3,6,10-11H,4-5,7,13H2.
What are the key properties of 2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine?
2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine has a molecular weight of 227.69 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine is sourced from PubChem (CID 82158926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).