2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline

C15H15FN2 — CID 64769584

IUPAC2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline
SMILESNc1cc(F)ccc1CN1Cc2ccccc2C1
InChIInChI=1S/C15H15FN2/c16-14-6-5-13(15(17)7-14)10-18-8-11-3-1-2-4-12(11)9-18/h1-7H,8-10,17H2
InChIKeyOPWJRNTYEIIPAS-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.92
Rot. Bonds2

About 2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline

2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline (PubChem CID 64769584) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline
PubChem CID64769584
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline
SMILESNc1cc(F)ccc1CN1Cc2ccccc2C1
InChIInChI=1S/C15H15FN2/c16-14-6-5-13(15(17)7-14)10-18-8-11-3-1-2-4-12(11)9-18/h1-7H,8-10,17H2
InChIKeyOPWJRNTYEIIPAS-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.92
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-ylmethyl)-5-fluoroaniline?
The IUPAC name of 2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline (CID 64769584) is 2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline is Nc1cc(F)ccc1CN1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline?
The InChIKey is OPWJRNTYEIIPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c16-14-6-5-13(15(17)7-14)10-18-8-11-3-1-2-4-12(11)9-18/h1-7H,8-10,17H2.
What are the key properties of 2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline?
2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline has a molecular weight of 242.30 g/mol, XLogP of 2.92, 2 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-ylmethyl)-5-fluoroaniline is sourced from PubChem (CID 64769584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).