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

C12H16FNO2 — CID 6451539

IUPAC3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine
SMILESNCCCC1(c2ccc(F)cc2)OCCO1
InChIInChI=1S/C12H16FNO2/c13-11-4-2-10(3-5-11)12(6-1-7-14)15-8-9-16-12/h2-5H,1,6-9,14H2
InChIKeyGOCRWQKOSCUNLY-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.76
Rot. Bonds4

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

3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine (PubChem CID 6451539) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine
PubChem CID6451539
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine
SMILESNCCCC1(c2ccc(F)cc2)OCCO1
InChIInChI=1S/C12H16FNO2/c13-11-4-2-10(3-5-11)12(6-1-7-14)15-8-9-16-12/h2-5H,1,6-9,14H2
InChIKeyGOCRWQKOSCUNLY-UHFFFAOYSA-N
XLogP1.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine?
The IUPAC name of 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine (CID 6451539) is 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine is NCCCC1(c2ccc(F)cc2)OCCO1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine?
The InChIKey is GOCRWQKOSCUNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-11-4-2-10(3-5-11)12(6-1-7-14)15-8-9-16-12/h2-5H,1,6-9,14H2.
What are the key properties of 3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine?
3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine has a molecular weight of 225.26 g/mol, XLogP of 1.76, 4 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]propan-1-amine is sourced from PubChem (CID 6451539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).