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'}

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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).