2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine

C11H16FN3 — CID 82581890

IUPAC2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNCCN1CCc2c(N)cc(F)cc2C1
InChIInChI=1S/C11H16FN3/c12-9-5-8-7-15(4-2-13)3-1-10(8)11(14)6-9/h5-6H,1-4,7,13-14H2
InChIKeyMEZWSVWMZHCYCU-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.72
Rot. Bonds2

About 2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine

2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 82581890) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID82581890
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNCCN1CCc2c(N)cc(F)cc2C1
InChIInChI=1S/C11H16FN3/c12-9-5-8-7-15(4-2-13)3-1-10(8)11(14)6-9/h5-6H,1-4,7,13-14H2
InChIKeyMEZWSVWMZHCYCU-UHFFFAOYSA-N
XLogP0.72
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine (CID 82581890) is 2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine is NCCN1CCc2c(N)cc(F)cc2C1.
What is the InChIKey of 2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is MEZWSVWMZHCYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c12-9-5-8-7-15(4-2-13)3-1-10(8)11(14)6-9/h5-6H,1-4,7,13-14H2.
What are the key properties of 2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine?
2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 209.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-fluoro-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 82581890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).