3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine

C13H18FNO2 — CID 13335708

IUPAC3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine
SMILESCNCCCC1(c2ccc(F)cc2)OCCO1
InChIInChI=1S/C13H18FNO2/c1-15-8-2-7-13(16-9-10-17-13)11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3
InChIKeyBIIDREQICRVVGR-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.02
Rot. Bonds5

About 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine

3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine (PubChem CID 13335708) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine
PubChem CID13335708
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine
SMILESCNCCCC1(c2ccc(F)cc2)OCCO1
InChIInChI=1S/C13H18FNO2/c1-15-8-2-7-13(16-9-10-17-13)11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3
InChIKeyBIIDREQICRVVGR-UHFFFAOYSA-N
XLogP2.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine (CID 13335708) is 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine is CNCCCC1(c2ccc(F)cc2)OCCO1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine?
The InChIKey is BIIDREQICRVVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-15-8-2-7-13(16-9-10-17-13)11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3.
What are the key properties of 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine?
3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine has a molecular weight of 239.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 13335708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).