1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine

C15H13BrN2O — CID 105021001

IUPAC1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCNC(c1ccc2ncccc2c1)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O/c1-17-15(13-6-7-14(16)19-13)11-4-5-12-10(9-11)3-2-8-18-12/h2-9,15,17H,1H3
InChIKeyOLPIMSGMMFLUMH-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.90
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine

1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine (PubChem CID 105021001) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
PubChem CID105021001
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCNC(c1ccc2ncccc2c1)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O/c1-17-15(13-6-7-14(16)19-13)11-4-5-12-10(9-11)3-2-8-18-12/h2-9,15,17H,1H3
InChIKeyOLPIMSGMMFLUMH-UHFFFAOYSA-N
XLogP3.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021051
1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
CID 115353815
1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021072
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 114651360
N-methyl-1-(2-methylpyrimidin-4-yl)-1-quinolin-6-ylmethanamine
CID 115530668
1-(4-fluoro-3-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096854
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105020999
N-[(5-bromofuran-2-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 115797770
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096681
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine
CID 106652944
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine (CID 105021001) is 1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine is CNC(c1ccc2ncccc2c1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The InChIKey is OLPIMSGMMFLUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-17-15(13-6-7-14(16)19-13)11-4-5-12-10(9-11)3-2-8-18-12/h2-9,15,17H,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine?
1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine has a molecular weight of 317.19 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine is sourced from PubChem (CID 105021001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).