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

C12H17NO3 — CID 103466567

IUPAC[2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine
SMILESCOCC1(c2ccccc2)OCC(CN)O1
InChIInChI=1S/C12H17NO3/c1-14-9-12(10-5-3-2-4-6-10)15-8-11(7-13)16-12/h2-6,11H,7-9,13H2,1H3
InChIKeyVDRQAYPAGSKUCO-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.86
Rot. Bonds4

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

[2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 103466567) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine
PubChem CID103466567
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine
SMILESCOCC1(c2ccccc2)OCC(CN)O1
InChIInChI=1S/C12H17NO3/c1-14-9-12(10-5-3-2-4-6-10)15-8-11(7-13)16-12/h2-6,11H,7-9,13H2,1H3
InChIKeyVDRQAYPAGSKUCO-UHFFFAOYSA-N
XLogP0.86
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine (CID 103466567) is [2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine is COCC1(c2ccccc2)OCC(CN)O1.
What is the InChIKey of [2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is VDRQAYPAGSKUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-9-12(10-5-3-2-4-6-10)15-8-11(7-13)16-12/h2-6,11H,7-9,13H2,1H3.
What are the key properties of [2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine?
[2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 223.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 103466567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).