3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine

C22H19FN2O — CID 143599384

IUPAC3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)c4ccccc43)c2)c1F
InChIInChI=1S/C22H19FN2O/c1-22(18-11-4-3-9-17(18)21(24)25-22)15-8-5-7-14(13-15)16-10-6-12-19(26-2)20(16)23/h3-13H,1-2H3,(H2,24,25)
InChIKeyQXQBYHGDTAPWSH-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.48
Rot. Bonds3

About 3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine

3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine (PubChem CID 143599384) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine.

Molecular Properties

Compound Name3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine
PubChem CID143599384
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)c4ccccc43)c2)c1F
InChIInChI=1S/C22H19FN2O/c1-22(18-11-4-3-9-17(18)21(24)25-22)15-8-5-7-14(13-15)16-10-6-12-19(26-2)20(16)23/h3-13H,1-2H3,(H2,24,25)
InChIKeyQXQBYHGDTAPWSH-UHFFFAOYSA-N
XLogP4.48
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine?
The IUPAC name of 3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine (CID 143599384) is 3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine.
What is the SMILES notation for 3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine?
The canonical SMILES for 3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine is COc1cccc(-c2cccc(C3(C)N=C(N)c4ccccc43)c2)c1F.
What is the InChIKey of 3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine?
The InChIKey is QXQBYHGDTAPWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-22(18-11-4-3-9-17(18)21(24)25-22)15-8-5-7-14(13-15)16-10-6-12-19(26-2)20(16)23/h3-13H,1-2H3,(H2,24,25).
What are the key properties of 3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine?
3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine has a molecular weight of 346.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine is sourced from PubChem (CID 143599384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).