[5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine

C17H16N2O — CID 42797508

IUPAC[5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine
SMILESCOc1cccc(-c2ccc(CN)c3cnccc23)c1
InChIInChI=1S/C17H16N2O/c1-20-14-4-2-3-12(9-14)15-6-5-13(10-18)17-11-19-8-7-16(15)17/h2-9,11H,10,18H2,1H3
InChIKeyIHRSVXPUIDDPIP-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.37
Rot. Bonds3

About [5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine

[5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine (PubChem CID 42797508) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine
PubChem CID42797508
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name[5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine
SMILESCOc1cccc(-c2ccc(CN)c3cnccc23)c1
InChIInChI=1S/C17H16N2O/c1-20-14-4-2-3-12(9-14)15-6-5-13(10-18)17-11-19-8-7-16(15)17/h2-9,11H,10,18H2,1H3
InChIKeyIHRSVXPUIDDPIP-UHFFFAOYSA-N
XLogP3.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine?
The IUPAC name of [5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine (CID 42797508) is [5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine.
What is the SMILES notation for [5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine?
The canonical SMILES for [5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine is COc1cccc(-c2ccc(CN)c3cnccc23)c1.
What is the InChIKey of [5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine?
The InChIKey is IHRSVXPUIDDPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-20-14-4-2-3-12(9-14)15-6-5-13(10-18)17-11-19-8-7-16(15)17/h2-9,11H,10,18H2,1H3.
What are the key properties of [5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine?
[5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine has a molecular weight of 264.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)isoquinolin-8-yl]methanamine is sourced from PubChem (CID 42797508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).