N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine

C17H17N3 — CID 82536098

IUPACN-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine
SMILESCN1Cc2ccc(Nc3ccc4[nH]ccc4c3)cc2C1
InChIInChI=1S/C17H17N3/c1-20-10-13-2-3-15(9-14(13)11-20)19-16-4-5-17-12(8-16)6-7-18-17/h2-9,18-19H,10-11H2,1H3
InChIKeyJAGCNGTVGZEJPY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.86
Rot. Bonds2

About N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine

N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine (PubChem CID 82536098) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine.

Molecular Properties

Compound NameN-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine
PubChem CID82536098
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine
SMILESCN1Cc2ccc(Nc3ccc4[nH]ccc4c3)cc2C1
InChIInChI=1S/C17H17N3/c1-20-10-13-2-3-15(9-14(13)11-20)19-16-4-5-17-12(8-16)6-7-18-17/h2-9,18-19H,10-11H2,1H3
InChIKeyJAGCNGTVGZEJPY-UHFFFAOYSA-N
XLogP3.86
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine?
The IUPAC name of N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine (CID 82536098) is N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine.
What is the SMILES notation for N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine?
The canonical SMILES for N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine is CN1Cc2ccc(Nc3ccc4[nH]ccc4c3)cc2C1.
What is the InChIKey of N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine?
The InChIKey is JAGCNGTVGZEJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-20-10-13-2-3-15(9-14(13)11-20)19-16-4-5-17-12(8-16)6-7-18-17/h2-9,18-19H,10-11H2,1H3.
What are the key properties of N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine?
N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine has a molecular weight of 263.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine is sourced from PubChem (CID 82536098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).