N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine

C15H19BrN2O2 — CID 115959258

IUPACN-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H19BrN2O2/c1-19-9-10-20-8-7-17-11-12-4-5-14(16)13-3-2-6-18-15(12)13/h2-6,17H,7-11H2,1H3
InChIKeyQTBHGKGGXUZKTN-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.75
Rot. Bonds8

About N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine

N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine (PubChem CID 115959258) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine
PubChem CID115959258
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H19BrN2O2/c1-19-9-10-20-8-7-17-11-12-4-5-14(16)13-3-2-6-18-15(12)13/h2-6,17H,7-11H2,1H3
InChIKeyQTBHGKGGXUZKTN-UHFFFAOYSA-N
XLogP2.75
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.75
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

N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 115959068
2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115967899
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
4-[(5-bromoquinolin-8-yl)methylamino]butanoic acid
CID 112617701
N-[(5-bromoquinolin-8-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103943704
N-[(5-bromoquinolin-8-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115968069
5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
CID 107267644
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
N-[(5-chloroquinolin-8-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 115697403
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
2-(2-methoxyethoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62699364

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine (CID 115959258) is N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine is COCCOCCNCc1ccc(Br)c2cccnc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
The InChIKey is QTBHGKGGXUZKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-19-9-10-20-8-7-17-11-12-4-5-14(16)13-3-2-6-18-15(12)13/h2-6,17H,7-11H2,1H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine has a molecular weight of 339.23 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 115959258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).