N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine

C16H21BrN2O2 — CID 115959068

IUPACN-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C16H21BrN2O2/c1-20-10-11-21-9-3-7-18-12-13-5-6-15(17)14-4-2-8-19-16(13)14/h2,4-6,8,18H,3,7,9-12H2,1H3
InChIKeyNTXIJUVMYJLKIR-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.14
Rot. Bonds9

About N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine

N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 115959068) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
PubChem CID115959068
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C16H21BrN2O2/c1-20-10-11-21-9-3-7-18-12-13-5-6-15(17)14-4-2-8-19-16(13)14/h2,4-6,8,18H,3,7,9-12H2,1H3
InChIKeyNTXIJUVMYJLKIR-UHFFFAOYSA-N
XLogP3.14
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.14
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]-2-(2-methoxyethoxy)ethanamine
CID 115959258
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115967899
4-[(5-bromoquinolin-8-yl)methylamino]butanoic acid
CID 112617701
5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
CID 107267644
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 61390555
N-[(5-bromoquinolin-8-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115968069
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
N-[(5-bromoquinolin-8-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103943704
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103943748

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (CID 115959068) is N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNCc1ccc(Br)c2cccnc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is NTXIJUVMYJLKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-20-10-11-21-9-3-7-18-12-13-5-6-15(17)14-4-2-8-19-16(13)14/h2,4-6,8,18H,3,7,9-12H2,1H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 353.26 g/mol, XLogP of 3.14, 9 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]-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 115959068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).