2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione

C17H15FN2O2 — CID 134586614

IUPAC2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione
SMILESC[C@@H](N)c1cccc(F)c1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15FN2O2/c1-10(19)11-7-4-8-15(18)14(11)9-20-16(21)12-5-2-3-6-13(12)17(20)22/h2-8,10H,9,19H2,1H3/t10-/m1/s1
InChIKeyWWNIZWZDIDUCCO-SNVBAGLBSA-N
MW298.32 g/mol
LogP2.64
Rot. Bonds3

About 2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione

2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione (PubChem CID 134586614) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione
PubChem CID134586614
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione
SMILESC[C@@H](N)c1cccc(F)c1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15FN2O2/c1-10(19)11-7-4-8-15(18)14(11)9-20-16(21)12-5-2-3-6-13(12)17(20)22/h2-8,10H,9,19H2,1H3/t10-/m1/s1
InChIKeyWWNIZWZDIDUCCO-SNVBAGLBSA-N
XLogP2.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione (CID 134586614) is 2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione is C[C@@H](N)c1cccc(F)c1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione?
The InChIKey is WWNIZWZDIDUCCO-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10(19)11-7-4-8-15(18)14(11)9-20-16(21)12-5-2-3-6-13(12)17(20)22/h2-8,10H,9,19H2,1H3/t10-/m1/s1.
What are the key properties of 2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione?
2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione has a molecular weight of 298.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 134586614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).