N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine

C14H18N2O2 — CID 106537643

IUPACN-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
SMILESCCOCCNc1nccc2c(OC)cccc12
InChIInChI=1S/C14H18N2O2/c1-3-18-10-9-16-14-12-5-4-6-13(17-2)11(12)7-8-15-14/h4-8H,3,9-10H2,1-2H3,(H,15,16)
InChIKeyRNOSWJMLRYCHIV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.69
Rot. Bonds6

About N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine

N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine (PubChem CID 106537643) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
PubChem CID106537643
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
SMILESCCOCCNc1nccc2c(OC)cccc12
InChIInChI=1S/C14H18N2O2/c1-3-18-10-9-16-14-12-5-4-6-13(17-2)11(12)7-8-15-14/h4-8H,3,9-10H2,1-2H3,(H,15,16)
InChIKeyRNOSWJMLRYCHIV-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

5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
5-bromo-N-(2-ethoxyethyl)isoquinolin-1-amine
CID 103847057
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509
N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539420
N-hex-5-ynyl-5-methoxyisoquinolin-1-amine
CID 106214608
N-[3-[(5-methoxyisoquinolin-1-yl)amino]propyl]methanesulfonamide
CID 106337312
2-[(5-methoxyisoquinolin-1-yl)amino]ethylurea
CID 106539332
5-methoxy-N-(3-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539682
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide
CID 106238801
5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine
CID 106537946

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine (CID 106537643) is N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine is CCOCCNc1nccc2c(OC)cccc12.
What is the InChIKey of N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine?
The InChIKey is RNOSWJMLRYCHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-18-10-9-16-14-12-5-4-6-13(17-2)11(12)7-8-15-14/h4-8H,3,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine?
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-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 N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106537643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).