2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine

C17H24N2O — CID 6857

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IUPAC2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine
SMILESCCCCc1cc2ccccc2c(OCCN(C)C)n1
InChIInChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3
InChIKeyXNMYNYSCEJBRPZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.52
Rot. Bonds7

About 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine

2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine (PubChem CID 6857) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine
PubChem CID6857
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine
SMILESCCCCc1cc2ccccc2c(OCCN(C)C)n1
InChIInChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3
InChIKeyXNMYNYSCEJBRPZ-UHFFFAOYSA-N
XLogP3.52
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethisoquin Hydrochloride
CID 9883104
Quotane
CID 17714
4-Methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline iodide
CID 9550335
2-(Benzyloxy)-4,6-diphenylpyridine-3-carbonitrile
CID 3112242
4-Methyl-2,3-dihydrofuro[2,3-b]quinoline
CID 5459433
2-[4-(4-Fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine
CID 10179509
6-[(4,6-Diphenyl-2-pyridyl)oxy]hexanonitrile
CID 10337448
N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline
CID 56946827
1-[1-(4-Methoxyphenyl)ethenyl]-3-methylisoquinoline
CID 118444192
2-Methoxy-3-methyl-4,6-diphenylpyridine
CID 141482524
2-Methoxyquinoline
CID 138869
Quinoline, 4-methyl-2-(vinyloxy)-
CID 214959

Frequently Asked Questions

What is the IUPAC name of 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine (CID 6857) is 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine is CCCCc1cc2ccccc2c(OCCN(C)C)n1.
What is the InChIKey of 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine?
The InChIKey is XNMYNYSCEJBRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3.
What are the key properties of 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine?
2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine has a molecular weight of 272.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 6857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).