3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine

C21H18BrN3 — CID 59596298

IUPAC3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine
SMILESCCc1cc(C2(c3cccc(Br)c3)N=C(N)c3ccccc32)ccn1
InChIInChI=1S/C21H18BrN3/c1-2-17-13-15(10-11-24-17)21(14-6-5-7-16(22)12-14)19-9-4-3-8-18(19)20(23)25-21/h3-13H,2H2,1H3,(H2,23,25)
InChIKeyYFIVOZXWMNXWMD-UHFFFAOYSA-N
MW392.30 g/mol
LogP4.42
Rot. Bonds3

About 3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine

3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine (PubChem CID 59596298) has the molecular formula C21H18BrN3 and a molecular weight of 392.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine
PubChem CID59596298
Molecular FormulaC21H18BrN3
Molecular Weight392.30 g/mol
Exact Mass391.07
IUPAC Name3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine
SMILESCCc1cc(C2(c3cccc(Br)c3)N=C(N)c3ccccc32)ccn1
InChIInChI=1S/C21H18BrN3/c1-2-17-13-15(10-11-24-17)21(14-6-5-7-16(22)12-14)19-9-4-3-8-18(19)20(23)25-21/h3-13H,2H2,1H3,(H2,23,25)
InChIKeyYFIVOZXWMNXWMD-UHFFFAOYSA-N
XLogP4.42
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine?
The IUPAC name of 3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine (CID 59596298) is 3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine is CCc1cc(C2(c3cccc(Br)c3)N=C(N)c3ccccc32)ccn1.
What is the InChIKey of 3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine?
The InChIKey is YFIVOZXWMNXWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3/c1-2-17-13-15(10-11-24-17)21(14-6-5-7-16(22)12-14)19-9-4-3-8-18(19)20(23)25-21/h3-13H,2H2,1H3,(H2,23,25).
What are the key properties of 3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine?
3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine has a molecular weight of 392.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-(2-ethyl-4-pyridinyl)isoindol-1-amine is sourced from PubChem (CID 59596298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).