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

C16H19BrN2O — CID 115959209

IUPACN-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESBrc1ccc(CNCCC2CCCO2)c2ncccc12
InChIInChI=1S/C16H19BrN2O/c17-15-6-5-12(16-14(15)4-1-8-19-16)11-18-9-7-13-3-2-10-20-13/h1,4-6,8,13,18H,2-3,7,9-11H2
InChIKeyGODLANZYNBHGAS-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.66
Rot. Bonds5

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

N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 115959209) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID115959209
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESBrc1ccc(CNCCC2CCCO2)c2ncccc12
InChIInChI=1S/C16H19BrN2O/c17-15-6-5-12(16-14(15)4-1-8-19-16)11-18-9-7-13-3-2-10-20-13/h1,4-6,8,13,18H,2-3,7,9-11H2
InChIKeyGODLANZYNBHGAS-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]-1-(1,4-dioxan-2-yl)methanamine
CID 115959206
N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
CID 97079648
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine
CID 112617700
N-[(2-bromo-4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 60766476
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
N-[(4-bromo-2-chlorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115652022
N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103943748
1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 115959257
N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine
CID 115959253
4-[(5-bromoquinolin-8-yl)methylamino]butanoic acid
CID 112617701
N-[(5-bromoquinolin-8-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103943704

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine (CID 115959209) is N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine is Brc1ccc(CNCCC2CCCO2)c2ncccc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is GODLANZYNBHGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c17-15-6-5-12(16-14(15)4-1-8-19-16)11-18-9-7-13-3-2-10-20-13/h1,4-6,8,13,18H,2-3,7,9-11H2.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 335.25 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 115959209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).