3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine

C15H20N2O2 — CID 82576762

IUPAC3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2c(CC(C)CN)nccc2c1OC
InChIInChI=1S/C15H20N2O2/c1-10(9-16)8-13-11-4-5-14(18-2)15(19-3)12(11)6-7-17-13/h4-7,10H,8-9,16H2,1-3H3
InChIKeyHMTRTGGXWOBLSE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.39
Rot. Bonds5

About 3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine

3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine (PubChem CID 82576762) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine
PubChem CID82576762
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2c(CC(C)CN)nccc2c1OC
InChIInChI=1S/C15H20N2O2/c1-10(9-16)8-13-11-4-5-14(18-2)15(19-3)12(11)6-7-17-13/h4-7,10H,8-9,16H2,1-3H3
InChIKeyHMTRTGGXWOBLSE-UHFFFAOYSA-N
XLogP2.39
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine
CID 82576731
N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
CID 103172082
3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine
CID 82576944
3-(5-methoxy-2-methylpyrimidin-4-yl)-2-methylpropan-1-amine
CID 83879523
1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol
CID 103173777
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine
CID 82246747
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
2-[2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]ethylsulfanylmethyl]-3,4-dimethoxypyridine
CID 176896429
3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine
CID 82576978
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine (CID 82576762) is 3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine is COc1ccc2c(CC(C)CN)nccc2c1OC.
What is the InChIKey of 3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine?
The InChIKey is HMTRTGGXWOBLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(9-16)8-13-11-4-5-14(18-2)15(19-3)12(11)6-7-17-13/h4-7,10H,8-9,16H2,1-3H3.
What are the key properties of 3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine?
3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82576762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).