2-isoquinolin-8-yl-1-methoxybutan-2-amine

C14H18N2O — CID 103143248

IUPAC2-isoquinolin-8-yl-1-methoxybutan-2-amine
SMILESCCC(N)(COC)c1cccc2ccncc12
InChIInChI=1S/C14H18N2O/c1-3-14(15,10-17-2)13-6-4-5-11-7-8-16-9-12(11)13/h4-9H,3,10,15H2,1-2H3
InChIKeyJNAZRYSIQHLQEH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.45
Rot. Bonds4

About 2-isoquinolin-8-yl-1-methoxybutan-2-amine

2-isoquinolin-8-yl-1-methoxybutan-2-amine (PubChem CID 103143248) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-isoquinolin-8-yl-1-methoxybutan-2-amine.

Molecular Properties

Compound Name2-isoquinolin-8-yl-1-methoxybutan-2-amine
PubChem CID103143248
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-isoquinolin-8-yl-1-methoxybutan-2-amine
SMILESCCC(N)(COC)c1cccc2ccncc12
InChIInChI=1S/C14H18N2O/c1-3-14(15,10-17-2)13-6-4-5-11-7-8-16-9-12(11)13/h4-9H,3,10,15H2,1-2H3
InChIKeyJNAZRYSIQHLQEH-UHFFFAOYSA-N
XLogP2.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-8-yl-1-methoxybutan-2-amine?
The IUPAC name of 2-isoquinolin-8-yl-1-methoxybutan-2-amine (CID 103143248) is 2-isoquinolin-8-yl-1-methoxybutan-2-amine.
What is the SMILES notation for 2-isoquinolin-8-yl-1-methoxybutan-2-amine?
The canonical SMILES for 2-isoquinolin-8-yl-1-methoxybutan-2-amine is CCC(N)(COC)c1cccc2ccncc12.
What is the InChIKey of 2-isoquinolin-8-yl-1-methoxybutan-2-amine?
The InChIKey is JNAZRYSIQHLQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-14(15,10-17-2)13-6-4-5-11-7-8-16-9-12(11)13/h4-9H,3,10,15H2,1-2H3.
What are the key properties of 2-isoquinolin-8-yl-1-methoxybutan-2-amine?
2-isoquinolin-8-yl-1-methoxybutan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-8-yl-1-methoxybutan-2-amine is sourced from PubChem (CID 103143248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).