[2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine

C11H15NO3 — CID 79017113

IUPAC[2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine
SMILESCOc1cccc(C2OCC(CN)O2)c1
InChIInChI=1S/C11H15NO3/c1-13-9-4-2-3-8(5-9)11-14-7-10(6-12)15-11/h2-5,10-11H,6-7,12H2,1H3
InChIKeyNHSJFUOFSYADBH-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.07
Rot. Bonds3

About [2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine

[2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 79017113) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine
PubChem CID79017113
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name[2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine
SMILESCOc1cccc(C2OCC(CN)O2)c1
InChIInChI=1S/C11H15NO3/c1-13-9-4-2-3-8(5-9)11-14-7-10(6-12)15-11/h2-5,10-11H,6-7,12H2,1H3
InChIKeyNHSJFUOFSYADBH-UHFFFAOYSA-N
XLogP1.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine (CID 79017113) is [2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine is COc1cccc(C2OCC(CN)O2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is NHSJFUOFSYADBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-13-9-4-2-3-8(5-9)11-14-7-10(6-12)15-11/h2-5,10-11H,6-7,12H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine?
[2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 209.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 79017113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).