N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine

C15H19BrN2O2 — CID 106543060

IUPACN-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine
SMILESCOCCN(CCBr)c1nccc2cc(OC)ccc12
InChIInChI=1S/C15H19BrN2O2/c1-19-10-9-18(8-6-16)15-14-4-3-13(20-2)11-12(14)5-7-17-15/h3-5,7,11H,6,8-10H2,1-2H3
InChIKeyAIARBSOEQNXBSC-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.09
Rot. Bonds7

About N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine

N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine (PubChem CID 106543060) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine
PubChem CID106543060
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine
SMILESCOCCN(CCBr)c1nccc2cc(OC)ccc12
InChIInChI=1S/C15H19BrN2O2/c1-19-10-9-18(8-6-16)15-14-4-3-13(20-2)11-12(14)5-7-17-15/h3-5,7,11H,6,8-10H2,1-2H3
InChIKeyAIARBSOEQNXBSC-UHFFFAOYSA-N
XLogP3.09
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-6-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542836
N-(2-bromo-3-methoxypropyl)-6-methoxy-N-methylisoquinolin-1-amine
CID 106542944
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
N-(3-bromopropyl)-7-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542939
6-methoxy-N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21002919
N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine
CID 106536904
4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
CID 106541598
N-(5-bromopentyl)-7-methoxy-N-methylisoquinolin-1-amine
CID 107205211
1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
CID 106542318
3-[(6-methoxyisoquinolin-1-yl)-methylamino]-2-methylpropanoic acid
CID 106536063
N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide
CID 142430525

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine?
The IUPAC name of N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine (CID 106543060) is N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine.
What is the SMILES notation for N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine?
The canonical SMILES for N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine is COCCN(CCBr)c1nccc2cc(OC)ccc12.
What is the InChIKey of N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine?
The InChIKey is AIARBSOEQNXBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-19-10-9-18(8-6-16)15-14-4-3-13(20-2)11-12(14)5-7-17-15/h3-5,7,11H,6,8-10H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine?
N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine has a molecular weight of 339.23 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine is sourced from PubChem (CID 106543060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).