1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine

C20H20N2 — CID 10493608

IUPAC1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine
SMILESNn1c(-c2ccccc2)c2c(c1-c1ccccc1)CCCC2
InChIInChI=1S/C20H20N2/c21-22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,21H2
InChIKeyMXZHREAIKLZWIM-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.41
Rot. Bonds2

About 1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine

1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine (PubChem CID 10493608) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine.

Molecular Properties

Compound Name1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine
PubChem CID10493608
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine
SMILESNn1c(-c2ccccc2)c2c(c1-c1ccccc1)CCCC2
InChIInChI=1S/C20H20N2/c21-22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,21H2
InChIKeyMXZHREAIKLZWIM-UHFFFAOYSA-N
XLogP4.41
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine?
The IUPAC name of 1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine (CID 10493608) is 1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine.
What is the SMILES notation for 1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine?
The canonical SMILES for 1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine is Nn1c(-c2ccccc2)c2c(c1-c1ccccc1)CCCC2.
What is the InChIKey of 1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine?
The InChIKey is MXZHREAIKLZWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c21-22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,21H2.
What are the key properties of 1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine?
1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-4,5,6,7-tetrahydroisoindol-2-amine is sourced from PubChem (CID 10493608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).