N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine

C16H15BrN2O — CID 104652980

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NC(C)c3ccc(Br)o3)c2n1
InChIInChI=1S/C16H15BrN2O/c1-10-6-7-12-4-3-5-13(16(12)18-10)19-11(2)14-8-9-15(17)20-14/h3-9,11,19H,1-2H3
InChIKeyOXWCHMVGYRQTLC-UHFFFAOYSA-N
MW331.21 g/mol
LogP5.07
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine

N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine (PubChem CID 104652980) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine
PubChem CID104652980
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NC(C)c3ccc(Br)o3)c2n1
InChIInChI=1S/C16H15BrN2O/c1-10-6-7-12-4-3-5-13(16(12)18-10)19-11(2)14-8-9-15(17)20-14/h3-9,11,19H,1-2H3
InChIKeyOXWCHMVGYRQTLC-UHFFFAOYSA-N
XLogP5.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.21
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
2-[(2-methylquinolin-8-yl)amino]propanoic acid
CID 66173350
2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile
CID 107803391
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine
CID 114049353
N-[1-(5-bromofuran-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 104652024
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine
CID 104652287
3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide
CID 104652440
(2-methylquinolin-8-yl)hydrazine
CID 957615
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
CID 113437433
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline
CID 104652461
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline
CID 104652371

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine (CID 104652980) is N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine is Cc1ccc2cccc(NC(C)c3ccc(Br)o3)c2n1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine?
The InChIKey is OXWCHMVGYRQTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-6-7-12-4-3-5-13(16(12)18-10)19-11(2)14-8-9-15(17)20-14/h3-9,11,19H,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine has a molecular weight of 331.21 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine is sourced from PubChem (CID 104652980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).