3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine

C26H22N2O2 — CID 59596308

IUPAC3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine
SMILESCOc1ccc(C2(c3cccc(-c4ccc(C)o4)c3)N=C(N)c3ccccc32)cc1
InChIInChI=1S/C26H22N2O2/c1-17-10-15-24(30-17)18-6-5-7-20(16-18)26(19-11-13-21(29-2)14-12-19)23-9-4-3-8-22(23)25(27)28-26/h3-16H,1-2H3,(H2,27,28)
InChIKeyRMAISUWIHRUGBW-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.27
Rot. Bonds4

About 3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine

3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine (PubChem CID 59596308) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine
PubChem CID59596308
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine
SMILESCOc1ccc(C2(c3cccc(-c4ccc(C)o4)c3)N=C(N)c3ccccc32)cc1
InChIInChI=1S/C26H22N2O2/c1-17-10-15-24(30-17)18-6-5-7-20(16-18)26(19-11-13-21(29-2)14-12-19)23-9-4-3-8-22(23)25(27)28-26/h3-16H,1-2H3,(H2,27,28)
InChIKeyRMAISUWIHRUGBW-UHFFFAOYSA-N
XLogP5.27
TPSA60.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15954963
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CID 25138721
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine (CID 59596308) is 3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine is COc1ccc(C2(c3cccc(-c4ccc(C)o4)c3)N=C(N)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine?
The InChIKey is RMAISUWIHRUGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-17-10-15-24(30-17)18-6-5-7-20(16-18)26(19-11-13-21(29-2)14-12-19)23-9-4-3-8-22(23)25(27)28-26/h3-16H,1-2H3,(H2,27,28).
What are the key properties of 3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine?
3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine has a molecular weight of 394.47 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine is sourced from PubChem (CID 59596308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).