2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine

C14H12Cl2N2 — CID 43370057

IUPAC2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C14H12Cl2N2/c15-10-4-5-14(12(16)6-10)18-7-9-2-1-3-13(17)11(9)8-18/h1-6H,7-8,17H2
InChIKeyXWWDEJDXSLIKHT-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.10
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine

2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine (PubChem CID 43370057) has the molecular formula C14H12Cl2N2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine
PubChem CID43370057
Molecular FormulaC14H12Cl2N2
Molecular Weight279.17 g/mol
Exact Mass278.04
IUPAC Name2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C14H12Cl2N2/c15-10-4-5-14(12(16)6-10)18-7-9-2-1-3-13(17)11(9)8-18/h1-6H,7-8,17H2
InChIKeyXWWDEJDXSLIKHT-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.10
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-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine (CID 43370057) is 2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(c1ccc(Cl)cc1Cl)C2.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is XWWDEJDXSLIKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2/c15-10-4-5-14(12(16)6-10)18-7-9-2-1-3-13(17)11(9)8-18/h1-6H,7-8,17H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine?
2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 279.17 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43370057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).