4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol

C15H20N2O2 — CID 106541598

IUPAC4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
SMILESCOc1ccc2c(N(C)CCC(C)O)nccc2c1
InChIInChI=1S/C15H20N2O2/c1-11(18)7-9-17(2)15-14-5-4-13(19-3)10-12(14)6-8-16-15/h4-6,8,10-11,18H,7,9H2,1-3H3
InChIKeyCCSMWLFQBODTNR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.45
Rot. Bonds5

About 4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol

4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol (PubChem CID 106541598) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
PubChem CID106541598
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
SMILESCOc1ccc2c(N(C)CCC(C)O)nccc2c1
InChIInChI=1S/C15H20N2O2/c1-11(18)7-9-17(2)15-14-5-4-13(19-3)10-12(14)6-8-16-15/h4-6,8,10-11,18H,7,9H2,1-3H3
InChIKeyCCSMWLFQBODTNR-UHFFFAOYSA-N
XLogP2.45
TPSA45.59 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methoxyisoquinolin-1-yl)-methylamino]-2-methylpropanoic acid
CID 106536063
N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine
CID 106536904
1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine
CID 106541030
N-(2-bromo-3-methoxypropyl)-6-methoxy-N-methylisoquinolin-1-amine
CID 106542944
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
CID 106542318
N-(2-bromoethyl)-6-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542836
N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 106542308
N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide
CID 142430525
N'-hydroxy-3-[(6-methoxyisoquinolin-1-yl)-methylamino]butanimidamide
CID 106537052
N-(5-bromopentyl)-7-methoxy-N-methylisoquinolin-1-amine
CID 107205211
N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine
CID 106543060
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol (CID 106541598) is 4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol is COc1ccc2c(N(C)CCC(C)O)nccc2c1.
What is the InChIKey of 4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol?
The InChIKey is CCSMWLFQBODTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(18)7-9-17(2)15-14-5-4-13(19-3)10-12(14)6-8-16-15/h4-6,8,10-11,18H,7,9H2,1-3H3.
What are the key properties of 4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol?
4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol is sourced from PubChem (CID 106541598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).