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

C12H16FNO2 — CID 82115043

IUPAC2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine
SMILESCc1cc(C2(CCN)OCCO2)ccc1F
InChIInChI=1S/C12H16FNO2/c1-9-8-10(2-3-11(9)13)12(4-5-14)15-6-7-16-12/h2-3,8H,4-7,14H2,1H3
InChIKeyCVFIHBCWUOHYKU-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.68
Rot. Bonds3

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

2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine (PubChem CID 82115043) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine
PubChem CID82115043
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine
SMILESCc1cc(C2(CCN)OCCO2)ccc1F
InChIInChI=1S/C12H16FNO2/c1-9-8-10(2-3-11(9)13)12(4-5-14)15-6-7-16-12/h2-3,8H,4-7,14H2,1H3
InChIKeyCVFIHBCWUOHYKU-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine?
The IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine (CID 82115043) is 2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine?
The canonical SMILES for 2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine is Cc1cc(C2(CCN)OCCO2)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine?
The InChIKey is CVFIHBCWUOHYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9-8-10(2-3-11(9)13)12(4-5-14)15-6-7-16-12/h2-3,8H,4-7,14H2,1H3.
What are the key properties of 2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine?
2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine has a molecular weight of 225.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]ethanamine is sourced from PubChem (CID 82115043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).