3-ethoxy-7-fluoro-3H-isoindol-1-amine

C10H11FN2O — CID 151103971

IUPAC3-ethoxy-7-fluoro-3H-isoindol-1-amine
SMILESCCOC1N=C(N)c2c(F)cccc21
InChIInChI=1S/C10H11FN2O/c1-2-14-10-6-4-3-5-7(11)8(6)9(12)13-10/h3-5,10H,2H2,1H3,(H2,12,13)
InChIKeyMORYJTLKDAJYOT-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.58
Rot. Bonds2

About 3-ethoxy-7-fluoro-3H-isoindol-1-amine

3-ethoxy-7-fluoro-3H-isoindol-1-amine (PubChem CID 151103971) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-ethoxy-7-fluoro-3H-isoindol-1-amine.

Molecular Properties

Compound Name3-ethoxy-7-fluoro-3H-isoindol-1-amine
PubChem CID151103971
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name3-ethoxy-7-fluoro-3H-isoindol-1-amine
SMILESCCOC1N=C(N)c2c(F)cccc21
InChIInChI=1S/C10H11FN2O/c1-2-14-10-6-4-3-5-7(11)8(6)9(12)13-10/h3-5,10H,2H2,1H3,(H2,12,13)
InChIKeyMORYJTLKDAJYOT-UHFFFAOYSA-N
XLogP1.58
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-fluoro-3H-isoindol-1-amine?
The IUPAC name of 3-ethoxy-7-fluoro-3H-isoindol-1-amine (CID 151103971) is 3-ethoxy-7-fluoro-3H-isoindol-1-amine.
What is the SMILES notation for 3-ethoxy-7-fluoro-3H-isoindol-1-amine?
The canonical SMILES for 3-ethoxy-7-fluoro-3H-isoindol-1-amine is CCOC1N=C(N)c2c(F)cccc21.
What is the InChIKey of 3-ethoxy-7-fluoro-3H-isoindol-1-amine?
The InChIKey is MORYJTLKDAJYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-2-14-10-6-4-3-5-7(11)8(6)9(12)13-10/h3-5,10H,2H2,1H3,(H2,12,13).
What are the key properties of 3-ethoxy-7-fluoro-3H-isoindol-1-amine?
3-ethoxy-7-fluoro-3H-isoindol-1-amine has a molecular weight of 194.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-fluoro-3H-isoindol-1-amine is sourced from PubChem (CID 151103971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).