3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine

C13H18FNO2 — CID 82117241

IUPAC3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
SMILESCc1cc(C2(CCCN)OCCO2)ccc1F
InChIInChI=1S/C13H18FNO2/c1-10-9-11(3-4-12(10)14)13(5-2-6-15)16-7-8-17-13/h3-4,9H,2,5-8,15H2,1H3
InChIKeyQDWZALFLKAAEOJ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.07
Rot. Bonds4

About 3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine

3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine (PubChem CID 82117241) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
PubChem CID82117241
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
SMILESCc1cc(C2(CCCN)OCCO2)ccc1F
InChIInChI=1S/C13H18FNO2/c1-10-9-11(3-4-12(10)14)13(5-2-6-15)16-7-8-17-13/h3-4,9H,2,5-8,15H2,1H3
InChIKeyQDWZALFLKAAEOJ-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine?
The IUPAC name of 3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine (CID 82117241) is 3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine?
The canonical SMILES for 3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine is Cc1cc(C2(CCCN)OCCO2)ccc1F.
What is the InChIKey of 3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine?
The InChIKey is QDWZALFLKAAEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10-9-11(3-4-12(10)14)13(5-2-6-15)16-7-8-17-13/h3-4,9H,2,5-8,15H2,1H3.
What are the key properties of 3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine?
3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine has a molecular weight of 239.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]propan-1-amine is sourced from PubChem (CID 82117241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).