5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine

C16H22N2O2 — CID 102713811

IUPAC5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine
SMILESCCCCOCCOc1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C16H22N2O2/c1-3-4-7-19-8-9-20-16-6-5-15(17)14-11-18-12(2)10-13(14)16/h5-6,10-11H,3-4,7-9,17H2,1-2H3
InChIKeyAUKHCBOGQIRSBY-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.32
Rot. Bonds7

About 5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine

5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine (PubChem CID 102713811) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine.

Molecular Properties

Compound Name5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine
PubChem CID102713811
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine
SMILESCCCCOCCOc1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C16H22N2O2/c1-3-4-7-19-8-9-20-16-6-5-15(17)14-11-18-12(2)10-13(14)16/h5-6,10-11H,3-4,7-9,17H2,1-2H3
InChIKeyAUKHCBOGQIRSBY-UHFFFAOYSA-N
XLogP3.32
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine
CID 102713763
5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine
CID 103486457
3-methyl-5-propan-2-yloxyisoquinolin-8-amine
CID 102713795
5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine
CID 103176845
5-cycloheptyloxy-3-methylisoquinolin-8-amine
CID 102713835
2-[2-(2-butoxyethoxy)ethoxy]-5-nitroaniline
CID 70583822
4-[4-amino-3-(2-hexoxyethoxy)phenyl]-2-(2-hexoxyethoxy)aniline
CID 139768534
4-bromo-3-(2-butoxyethoxy)aniline
CID 103009126
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81253479
5-(4-bromo-3-methylphenoxy)-3-methylisoquinolin-8-amine
CID 102713897
5-N-(2-ethoxyethyl)-3-methylisoquinoline-5,8-diamine
CID 102713105

Frequently Asked Questions

What is the IUPAC name of 5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine?
The IUPAC name of 5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine (CID 102713811) is 5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine.
What is the SMILES notation for 5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine?
The canonical SMILES for 5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine is CCCCOCCOc1ccc(N)c2cnc(C)cc12.
What is the InChIKey of 5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine?
The InChIKey is AUKHCBOGQIRSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-4-7-19-8-9-20-16-6-5-15(17)14-11-18-12(2)10-13(14)16/h5-6,10-11H,3-4,7-9,17H2,1-2H3.
What are the key properties of 5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine?
5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine has a molecular weight of 274.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine is sourced from PubChem (CID 102713811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).