1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine

C14H18N2O2 — CID 82572566

IUPAC1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine
SMILESCCOc1nccc2cc(NCCOC)ccc12
InChIInChI=1S/C14H18N2O2/c1-3-18-14-13-5-4-12(15-8-9-17-2)10-11(13)6-7-16-14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyIHICRWTZNUSRFY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.69
Rot. Bonds6

About 1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine

1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine (PubChem CID 82572566) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine
PubChem CID82572566
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine
SMILESCCOc1nccc2cc(NCCOC)ccc12
InChIInChI=1S/C14H18N2O2/c1-3-18-14-13-5-4-12(15-8-9-17-2)10-11(13)6-7-16-14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyIHICRWTZNUSRFY-UHFFFAOYSA-N
XLogP2.69
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxyisoquinoline-6-carboxylic acid
CID 82569742
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811
1-(2-ethoxyethoxy)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine
CID 153198400
N-(4-acetamidophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205974
3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
CID 114270472
N-methyl-1-propan-2-yloxyisoquinolin-6-amine
CID 82572571
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
CID 62911609
4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561328
4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 107541939
N'-(4-ethoxyphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805879

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine?
The IUPAC name of 1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine (CID 82572566) is 1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine.
What is the SMILES notation for 1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine?
The canonical SMILES for 1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine is CCOc1nccc2cc(NCCOC)ccc12.
What is the InChIKey of 1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine?
The InChIKey is IHICRWTZNUSRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-18-14-13-5-4-12(15-8-9-17-2)10-11(13)6-7-16-14/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of 1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine?
1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine has a molecular weight of 246.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine is sourced from PubChem (CID 82572566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).