2-benzyl-1,3-dihydroisoindol-5-amine

C15H16N2 — CID 3159244

IUPAC2-benzyl-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(Cc1ccccc1)C2
InChIInChI=1S/C15H16N2/c16-15-7-6-13-10-17(11-14(13)8-15)9-12-4-2-1-3-5-12/h1-8H,9-11,16H2
InChIKeyAPHDKXQNTZQBHW-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.78
Rot. Bonds2

About 2-benzyl-1,3-dihydroisoindol-5-amine

2-benzyl-1,3-dihydroisoindol-5-amine (PubChem CID 3159244) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-benzyl-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-benzyl-1,3-dihydroisoindol-5-amine
PubChem CID3159244
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name2-benzyl-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(Cc1ccccc1)C2
InChIInChI=1S/C15H16N2/c16-15-7-6-13-10-17(11-14(13)8-15)9-12-4-2-1-3-5-12/h1-8H,9-11,16H2
InChIKeyAPHDKXQNTZQBHW-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-benzyl-1,3-dihydroisoindol-5-amine (CID 3159244) is 2-benzyl-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-benzyl-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-benzyl-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-1,3-dihydroisoindol-5-amine?
The InChIKey is APHDKXQNTZQBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c16-15-7-6-13-10-17(11-14(13)8-15)9-12-4-2-1-3-5-12/h1-8H,9-11,16H2.
What are the key properties of 2-benzyl-1,3-dihydroisoindol-5-amine?
2-benzyl-1,3-dihydroisoindol-5-amine has a molecular weight of 224.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 3159244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).