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

C11H15NO2 — CID 10726441

IUPAC[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine
SMILESCC1(c2cccc(CN)c2)OCCO1
InChIInChI=1S/C11H15NO2/c1-11(13-5-6-14-11)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3
InChIKeyPAFHHQQXBXCRQR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.36
Rot. Bonds2

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

[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine (PubChem CID 10726441) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine
PubChem CID10726441
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine
SMILESCC1(c2cccc(CN)c2)OCCO1
InChIInChI=1S/C11H15NO2/c1-11(13-5-6-14-11)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3
InChIKeyPAFHHQQXBXCRQR-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine?
The IUPAC name of [3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine (CID 10726441) is [3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine is CC1(c2cccc(CN)c2)OCCO1.
What is the InChIKey of [3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine?
The InChIKey is PAFHHQQXBXCRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(13-5-6-14-11)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3.
What are the key properties of [3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine?
[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine has a molecular weight of 193.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine is sourced from PubChem (CID 10726441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).