2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine

C15H16N2 — CID 24810857

IUPAC2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine
SMILESCc1ccc(N2Cc3ccc(N)cc3C2)cc1
InChIInChI=1S/C15H16N2/c1-11-2-6-15(7-3-11)17-9-12-4-5-14(16)8-13(12)10-17/h2-8H,9-10,16H2,1H3
InChIKeyXFGBTMSHWJENHY-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.10
Rot. Bonds1

About 2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine

2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine (PubChem CID 24810857) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine
PubChem CID24810857
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine
SMILESCc1ccc(N2Cc3ccc(N)cc3C2)cc1
InChIInChI=1S/C15H16N2/c1-11-2-6-15(7-3-11)17-9-12-4-5-14(16)8-13(12)10-17/h2-8H,9-10,16H2,1H3
InChIKeyXFGBTMSHWJENHY-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.10
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-(4-methylphenyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine (CID 24810857) is 2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine is Cc1ccc(N2Cc3ccc(N)cc3C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is XFGBTMSHWJENHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-11-2-6-15(7-3-11)17-9-12-4-5-14(16)8-13(12)10-17/h2-8H,9-10,16H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine?
2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 224.31 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 24810857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).