3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine

C18H24N2O2 — CID 135145343

IUPAC3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine
SMILESCNCCC(Oc1cccc2cnccc12)C1CCOCC1
InChIInChI=1S/C18H24N2O2/c1-19-9-6-17(14-7-11-21-12-8-14)22-18-4-2-3-15-13-20-10-5-16(15)18/h2-5,10,13-14,17,19H,6-9,11-12H2,1H3
InChIKeyWBEWNXWAYTYONH-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.02
Rot. Bonds6

About 3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine

3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine (PubChem CID 135145343) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine
PubChem CID135145343
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine
SMILESCNCCC(Oc1cccc2cnccc12)C1CCOCC1
InChIInChI=1S/C18H24N2O2/c1-19-9-6-17(14-7-11-21-12-8-14)22-18-4-2-3-15-13-20-10-5-16(15)18/h2-5,10,13-14,17,19H,6-9,11-12H2,1H3
InChIKeyWBEWNXWAYTYONH-UHFFFAOYSA-N
XLogP3.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine?
The IUPAC name of 3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine (CID 135145343) is 3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine is CNCCC(Oc1cccc2cnccc12)C1CCOCC1.
What is the InChIKey of 3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine?
The InChIKey is WBEWNXWAYTYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19-9-6-17(14-7-11-21-12-8-14)22-18-4-2-3-15-13-20-10-5-16(15)18/h2-5,10,13-14,17,19H,6-9,11-12H2,1H3.
What are the key properties of 3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine?
3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine has a molecular weight of 300.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-yloxy-N-methyl-3-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 135145343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).