[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C17H17FN2O — CID 103495293

IUPAC[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNCCc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C17H17FN2O/c18-15-6-5-13-8-10-20(16(13)11-15)17(21)14-3-1-12(2-4-14)7-9-19/h1-6,11H,7-10,19H2
InChIKeyFWYOXLKRFKUEJS-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.53
Rot. Bonds3

About [4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone

[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103495293) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103495293
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNCCc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C17H17FN2O/c18-15-6-5-13-8-10-20(16(13)11-15)17(21)14-3-1-12(2-4-14)7-9-19/h1-6,11H,7-10,19H2
InChIKeyFWYOXLKRFKUEJS-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103495293) is [4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone is NCCc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1.
What is the InChIKey of [4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is FWYOXLKRFKUEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-6-5-13-8-10-20(16(13)11-15)17(21)14-3-1-12(2-4-14)7-9-19/h1-6,11H,7-10,19H2.
What are the key properties of [4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 284.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103495293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).