2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine

C17H19FN2O — CID 61015179

IUPAC2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(CCOc1ccc(F)cc1)C2
InChIInChI=1S/C17H19FN2O/c18-14-4-6-15(7-5-14)21-11-10-20-9-8-16-13(12-20)2-1-3-17(16)19/h1-7H,8-12,19H2
InChIKeyGZANLFWBZCKIOC-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.85
Rot. Bonds4

About 2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine

2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 61015179) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID61015179
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(CCOc1ccc(F)cc1)C2
InChIInChI=1S/C17H19FN2O/c18-14-4-6-15(7-5-14)21-11-10-20-9-8-16-13(12-20)2-1-3-17(16)19/h1-7H,8-12,19H2
InChIKeyGZANLFWBZCKIOC-UHFFFAOYSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014919
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674
2-[2-(4-fluorophenyl)sulfanylethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014282
2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 80695773
[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine
CID 82581546
2-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019122
2-[(3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017935
2-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 102877712
4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]aniline
CID 55050236
5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
CID 10924201
1-[2-(4-fluorophenoxy)ethyl]-2,3-dihydroindole
CID 82089229
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzonitrile
CID 901228

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine (CID 61015179) is 2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine is Nc1cccc2c1CCN(CCOc1ccc(F)cc1)C2.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is GZANLFWBZCKIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-14-4-6-15(7-5-14)21-11-10-20-9-8-16-13(12-20)2-1-3-17(16)19/h1-7H,8-12,19H2.
What are the key properties of 2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine?
2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 286.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 61015179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).