2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine

C17H18N2 — CID 43370098

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1ccc3c(c1)CCC3)C2
InChIInChI=1S/C17H18N2/c18-17-6-2-5-14-10-19(11-16(14)17)15-8-7-12-3-1-4-13(12)9-15/h2,5-9H,1,3-4,10-11,18H2
InChIKeyPOYJTNGEGNCYLM-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.28
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine

2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine (PubChem CID 43370098) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine
PubChem CID43370098
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1ccc3c(c1)CCC3)C2
InChIInChI=1S/C17H18N2/c18-17-6-2-5-14-10-19(11-16(14)17)15-8-7-12-3-1-4-13(12)9-15/h2,5-9H,1,3-4,10-11,18H2
InChIKeyPOYJTNGEGNCYLM-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine (CID 43370098) is 2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(c1ccc3c(c1)CCC3)C2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine?
The InChIKey is POYJTNGEGNCYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c18-17-6-2-5-14-10-19(11-16(14)17)15-8-7-12-3-1-4-13(12)9-15/h2,5-9H,1,3-4,10-11,18H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine?
2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine has a molecular weight of 250.35 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43370098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).