1-ethoxy-N-phenylisoquinolin-5-amine

C17H16N2O — CID 82572609

IUPAC1-ethoxy-N-phenylisoquinolin-5-amine
SMILESCCOc1nccc2c(Nc3ccccc3)cccc12
InChIInChI=1S/C17H16N2O/c1-2-20-17-15-9-6-10-16(14(15)11-12-18-17)19-13-7-4-3-5-8-13/h3-12,19H,2H2,1H3
InChIKeyWJHKDSKBVDLOBL-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.38
Rot. Bonds4

About 1-ethoxy-N-phenylisoquinolin-5-amine

1-ethoxy-N-phenylisoquinolin-5-amine (PubChem CID 82572609) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-ethoxy-N-phenylisoquinolin-5-amine.

Molecular Properties

Compound Name1-ethoxy-N-phenylisoquinolin-5-amine
PubChem CID82572609
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-ethoxy-N-phenylisoquinolin-5-amine
SMILESCCOc1nccc2c(Nc3ccccc3)cccc12
InChIInChI=1S/C17H16N2O/c1-2-20-17-15-9-6-10-16(14(15)11-12-18-17)19-13-7-4-3-5-8-13/h3-12,19H,2H2,1H3
InChIKeyWJHKDSKBVDLOBL-UHFFFAOYSA-N
XLogP4.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-phenylisoquinolin-5-amine?
The IUPAC name of 1-ethoxy-N-phenylisoquinolin-5-amine (CID 82572609) is 1-ethoxy-N-phenylisoquinolin-5-amine.
What is the SMILES notation for 1-ethoxy-N-phenylisoquinolin-5-amine?
The canonical SMILES for 1-ethoxy-N-phenylisoquinolin-5-amine is CCOc1nccc2c(Nc3ccccc3)cccc12.
What is the InChIKey of 1-ethoxy-N-phenylisoquinolin-5-amine?
The InChIKey is WJHKDSKBVDLOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-20-17-15-9-6-10-16(14(15)11-12-18-17)19-13-7-4-3-5-8-13/h3-12,19H,2H2,1H3.
What are the key properties of 1-ethoxy-N-phenylisoquinolin-5-amine?
1-ethoxy-N-phenylisoquinolin-5-amine has a molecular weight of 264.33 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-phenylisoquinolin-5-amine is sourced from PubChem (CID 82572609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).