[2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine

C13H19NO3 — CID 79017649

IUPAC[2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCOc1ccc(C)cc1C1(C)OCC(CN)O1
InChIInChI=1S/C13H19NO3/c1-9-4-5-12(15-3)11(6-9)13(2)16-8-10(7-14)17-13/h4-6,10H,7-8,14H2,1-3H3
InChIKeyZHKSPUAZPIHIAB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.55
Rot. Bonds3

About [2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine

[2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 79017649) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
PubChem CID79017649
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCOc1ccc(C)cc1C1(C)OCC(CN)O1
InChIInChI=1S/C13H19NO3/c1-9-4-5-12(15-3)11(6-9)13(2)16-8-10(7-14)17-13/h4-6,10H,7-8,14H2,1-3H3
InChIKeyZHKSPUAZPIHIAB-UHFFFAOYSA-N
XLogP1.55
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (CID 79017649) is [2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is COc1ccc(C)cc1C1(C)OCC(CN)O1.
What is the InChIKey of [2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is ZHKSPUAZPIHIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-4-5-12(15-3)11(6-9)13(2)16-8-10(7-14)17-13/h4-6,10H,7-8,14H2,1-3H3.
What are the key properties of [2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
[2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 79017649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).