(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine

C11H15NO2 — CID 79001693

IUPAC(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine
SMILESCC1(c2ccccc2)OCC(CN)O1
InChIInChI=1S/C11H15NO2/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h2-6,10H,7-8,12H2,1H3
InChIKeyJHXSDSFCVBAWFR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.23
Rot. Bonds2

About (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine

(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine (PubChem CID 79001693) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine
PubChem CID79001693
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine
SMILESCC1(c2ccccc2)OCC(CN)O1
InChIInChI=1S/C11H15NO2/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h2-6,10H,7-8,12H2,1H3
InChIKeyJHXSDSFCVBAWFR-UHFFFAOYSA-N
XLogP1.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine?
The IUPAC name of (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine (CID 79001693) is (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine is CC1(c2ccccc2)OCC(CN)O1.
What is the InChIKey of (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine?
The InChIKey is JHXSDSFCVBAWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h2-6,10H,7-8,12H2,1H3.
What are the key properties of (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine?
(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine has a molecular weight of 193.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 79001693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).