2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline

C14H13FN2 — CID 62205545

IUPAC2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline
SMILESNc1c(F)cccc1N1Cc2ccccc2C1
InChIInChI=1S/C14H13FN2/c15-12-6-3-7-13(14(12)16)17-8-10-4-1-2-5-11(10)9-17/h1-7H,8-9,16H2
InChIKeyKUOQPDKNCLELHB-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.93
Rot. Bonds1

About 2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline

2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline (PubChem CID 62205545) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline
PubChem CID62205545
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline
SMILESNc1c(F)cccc1N1Cc2ccccc2C1
InChIInChI=1S/C14H13FN2/c15-12-6-3-7-13(14(12)16)17-8-10-4-1-2-5-11(10)9-17/h1-7H,8-9,16H2
InChIKeyKUOQPDKNCLELHB-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
2-Phenylisoindoline
CID 226063
1,2,3-Trimethyl-2-phenyl-2,3-dihydro-1H-benzoimidazole
CID 799470
3-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-one
CID 962314
2-Methyl-2-phenylisoindolinium iodide
CID 28105
2,3-Dihydro-1,3-dimethyl-2-phenyl-1H-benzimidazole
CID 199049
2-(2,3-dihydro-1H-indol-1-yl)ethan-1-amine
CID 1072384
2-Phenyl-1-isoindolinethione
CID 829356
2-(2-Methylphenyl)isoindoline
CID 5152025
2-(4-ethylphenyl)-2,3-dihydro-1H-isoindole
CID 3383161
1-(3,5-Difluoro-benzyl)-1,3-dihydro-benzoimidazole-2-thione
CID 14054683
2-(4-methylphenyl)-2,3-dihydro-1H-isoindole
CID 4278254

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline (CID 62205545) is 2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline is Nc1c(F)cccc1N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline?
The InChIKey is KUOQPDKNCLELHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c15-12-6-3-7-13(14(12)16)17-8-10-4-1-2-5-11(10)9-17/h1-7H,8-9,16H2.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline?
2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline has a molecular weight of 228.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline is sourced from PubChem (CID 62205545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).