3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine

C22H20BrN3 — CID 59596314

IUPAC3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine
SMILESCC(C)c1cc(C2(c3cccc(Br)c3)N=C(N)c3ccccc32)ccn1
InChIInChI=1S/C22H20BrN3/c1-14(2)20-13-16(10-11-25-20)22(15-6-5-7-17(23)12-15)19-9-4-3-8-18(19)21(24)26-22/h3-14H,1-2H3,(H2,24,26)
InChIKeyGFDBRBOIUIJETF-UHFFFAOYSA-N
MW406.33 g/mol
LogP4.98
Rot. Bonds3

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

3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine (PubChem CID 59596314) has the molecular formula C22H20BrN3 and a molecular weight of 406.33 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine
PubChem CID59596314
Molecular FormulaC22H20BrN3
Molecular Weight406.33 g/mol
Exact Mass405.08
IUPAC Name3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine
SMILESCC(C)c1cc(C2(c3cccc(Br)c3)N=C(N)c3ccccc32)ccn1
InChIInChI=1S/C22H20BrN3/c1-14(2)20-13-16(10-11-25-20)22(15-6-5-7-17(23)12-15)19-9-4-3-8-18(19)21(24)26-22/h3-14H,1-2H3,(H2,24,26)
InChIKeyGFDBRBOIUIJETF-UHFFFAOYSA-N
XLogP4.98
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 24874780
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine
CID 59596275
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 67273059
5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327504
5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 59327529
5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327536
3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine
CID 59596261
3-(3-bromophenyl)-7-fluoro-3-(4-methoxyphenyl)isoindol-1-amine
CID 58579518
4-[3-amino-1-[3-(3-methoxyphenyl)phenyl]isoindol-1-yl]phenol
CID 143599411
3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine
CID 59596308
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 59596313

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine?
The IUPAC name of 3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine (CID 59596314) is 3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine is CC(C)c1cc(C2(c3cccc(Br)c3)N=C(N)c3ccccc32)ccn1.
What is the InChIKey of 3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine?
The InChIKey is GFDBRBOIUIJETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3/c1-14(2)20-13-16(10-11-25-20)22(15-6-5-7-17(23)12-15)19-9-4-3-8-18(19)21(24)26-22/h3-14H,1-2H3,(H2,24,26).
What are the key properties of 3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine?
3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine has a molecular weight of 406.33 g/mol, XLogP of 4.98, 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-propan-2-yl-4-pyridinyl)isoindol-1-amine is sourced from PubChem (CID 59596314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).