N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine

C13H19FN2 — CID 103494949

IUPACN-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
SMILESCCNCCCN1CCc2ccc(F)cc21
InChIInChI=1S/C13H19FN2/c1-2-15-7-3-8-16-9-6-11-4-5-12(14)10-13(11)16/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyMLBKDXOQHNUONT-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.19
Rot. Bonds5

About N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine

N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine (PubChem CID 103494949) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
PubChem CID103494949
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
SMILESCCNCCCN1CCc2ccc(F)cc21
InChIInChI=1S/C13H19FN2/c1-2-15-7-3-8-16-9-6-11-4-5-12(14)10-13(11)16/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyMLBKDXOQHNUONT-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine (CID 103494949) is N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine is CCNCCCN1CCc2ccc(F)cc21.
What is the InChIKey of N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine?
The InChIKey is MLBKDXOQHNUONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-15-7-3-8-16-9-6-11-4-5-12(14)10-13(11)16/h4-5,10,15H,2-3,6-9H2,1H3.
What are the key properties of N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine?
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine is sourced from PubChem (CID 103494949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).