[2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine

C15H23NO2 — CID 82119208

IUPAC[2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine
SMILESCc1cc(C)c(C)c(C2(C)OCC(CN)O2)c1C
InChIInChI=1S/C15H23NO2/c1-9-6-10(2)12(4)14(11(9)3)15(5)17-8-13(7-16)18-15/h6,13H,7-8,16H2,1-5H3
InChIKeyYXPRCHZKXBUBLC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.47
Rot. Bonds2

About [2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine

[2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 82119208) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine
PubChem CID82119208
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine
SMILESCc1cc(C)c(C)c(C2(C)OCC(CN)O2)c1C
InChIInChI=1S/C15H23NO2/c1-9-6-10(2)12(4)14(11(9)3)15(5)17-8-13(7-16)18-15/h6,13H,7-8,16H2,1-5H3
InChIKeyYXPRCHZKXBUBLC-UHFFFAOYSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine (CID 82119208) is [2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine is Cc1cc(C)c(C)c(C2(C)OCC(CN)O2)c1C.
What is the InChIKey of [2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is YXPRCHZKXBUBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-6-10(2)12(4)14(11(9)3)15(5)17-8-13(7-16)18-15/h6,13H,7-8,16H2,1-5H3.
What are the key properties of [2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine?
[2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 82119208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).