2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine

C19H23FN2O — CID 59647682

IUPAC2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCN1CCc2c(-c3cc(F)ccc3OC)cc(C)c(N)c2C1
InChIInChI=1S/C19H23FN2O/c1-4-22-8-7-14-15(9-12(2)19(21)17(14)11-22)16-10-13(20)5-6-18(16)23-3/h5-6,9-10H,4,7-8,11,21H2,1-3H3
InChIKeyVKCIFGSFZPUXIV-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.77
Rot. Bonds3

About 2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine

2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 59647682) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID59647682
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCN1CCc2c(-c3cc(F)ccc3OC)cc(C)c(N)c2C1
InChIInChI=1S/C19H23FN2O/c1-4-22-8-7-14-15(9-12(2)19(21)17(14)11-22)16-10-13(20)5-6-18(16)23-3/h5-6,9-10H,4,7-8,11,21H2,1-3H3
InChIKeyVKCIFGSFZPUXIV-UHFFFAOYSA-N
XLogP3.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
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-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine (CID 59647682) is 2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine is CCN1CCc2c(-c3cc(F)ccc3OC)cc(C)c(N)c2C1.
What is the InChIKey of 2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is VKCIFGSFZPUXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-4-22-8-7-14-15(9-12(2)19(21)17(14)11-22)16-10-13(20)5-6-18(16)23-3/h5-6,9-10H,4,7-8,11,21H2,1-3H3.
What are the key properties of 2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 314.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 59647682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).