2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine

C12H16FNO2 — CID 117169899

IUPAC2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(c2ccccc2F)OCC(CCN)O1
InChIInChI=1S/C12H16FNO2/c1-12(10-4-2-3-5-11(10)13)15-8-9(16-12)6-7-14/h2-5,9H,6-8,14H2,1H3
InChIKeyQEUSLVLMUQVYPT-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.76
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine

2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine (PubChem CID 117169899) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine
PubChem CID117169899
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(c2ccccc2F)OCC(CCN)O1
InChIInChI=1S/C12H16FNO2/c1-12(10-4-2-3-5-11(10)13)15-8-9(16-12)6-7-14/h2-5,9H,6-8,14H2,1H3
InChIKeyQEUSLVLMUQVYPT-UHFFFAOYSA-N
XLogP1.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine (CID 117169899) is 2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine is CC1(c2ccccc2F)OCC(CCN)O1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is QEUSLVLMUQVYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(10-4-2-3-5-11(10)13)15-8-9(16-12)6-7-14/h2-5,9H,6-8,14H2,1H3.
What are the key properties of 2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine?
2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 225.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 117169899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).