3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine

C22H19BrN2O — CID 59596275

IUPAC3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine
SMILESCOc1ccc(C2(c3cccc(Br)c3)N=C(N)c3ccccc32)cc1C
InChIInChI=1S/C22H19BrN2O/c1-14-12-16(10-11-20(14)26-2)22(15-6-5-7-17(23)13-15)19-9-4-3-8-18(19)21(24)25-22/h3-13H,1-2H3,(H2,24,25)
InChIKeyVACQPXAJOPDJJH-UHFFFAOYSA-N
MW407.31 g/mol
LogP4.78
Rot. Bonds3

About 3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine

3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine (PubChem CID 59596275) has the molecular formula C22H19BrN2O and a molecular weight of 407.31 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine
PubChem CID59596275
Molecular FormulaC22H19BrN2O
Molecular Weight407.31 g/mol
Exact Mass406.07
IUPAC Name3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine
SMILESCOc1ccc(C2(c3cccc(Br)c3)N=C(N)c3ccccc32)cc1C
InChIInChI=1S/C22H19BrN2O/c1-14-12-16(10-11-20(14)26-2)22(15-6-5-7-17(23)13-15)19-9-4-3-8-18(19)21(24)25-22/h3-13H,1-2H3,(H2,24,25)
InChIKeyVACQPXAJOPDJJH-UHFFFAOYSA-N
XLogP4.78
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 67273059
3-(4-methoxy-3-methylphenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 24875042
5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327536
3-(3-bromophenyl)-7-fluoro-3-(4-methoxyphenyl)isoindol-1-amine
CID 58579518
3-(3-bromo-4-fluorophenyl)-3-(4-methoxyphenyl)isoindol-1-amine
CID 59596272
3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine
CID 59596308
4-[3-amino-1-[3-(3-methoxyphenyl)phenyl]isoindol-1-yl]phenol
CID 143599411
1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole
CID 68839150
7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
CID 46206293
3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine
CID 143599384
4-(3-bromophenyl)-4-(4-methoxyphenyl)-2-methylimidazo[1,5-b]pyrazol-6-amine
CID 71680691
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine?
The IUPAC name of 3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine (CID 59596275) is 3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine is COc1ccc(C2(c3cccc(Br)c3)N=C(N)c3ccccc32)cc1C.
What is the InChIKey of 3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine?
The InChIKey is VACQPXAJOPDJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O/c1-14-12-16(10-11-20(14)26-2)22(15-6-5-7-17(23)13-15)19-9-4-3-8-18(19)21(24)25-22/h3-13H,1-2H3,(H2,24,25).
What are the key properties of 3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine?
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine has a molecular weight of 407.31 g/mol, XLogP of 4.78, 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-(4-methoxy-3-methylphenyl)isoindol-1-amine is sourced from PubChem (CID 59596275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).