1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine

C12H13BrN2O — CID 63942858

IUPAC1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
SMILESCNC(c1cc(C)ccn1)c1occc1Br
InChIInChI=1S/C12H13BrN2O/c1-8-3-5-15-10(7-8)11(14-2)12-9(13)4-6-16-12/h3-7,11,14H,1-2H3
InChIKeyJHDAUJFDCYXOLH-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.05
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine

1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine (PubChem CID 63942858) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
PubChem CID63942858
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
SMILESCNC(c1cc(C)ccn1)c1occc1Br
InChIInChI=1S/C12H13BrN2O/c1-8-3-5-15-10(7-8)11(14-2)12-9(13)4-6-16-12/h3-7,11,14H,1-2H3
InChIKeyJHDAUJFDCYXOLH-UHFFFAOYSA-N
XLogP3.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine
CID 63941858
1-(3-bromofuran-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755358
1-(3,5-dimethylphenyl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 55257537
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 79705576
1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 115861591
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 102651549
1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105150503
1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine
CID 114894776
1-(2,3-dimethylimidazol-4-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114283414
1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63941458
[(3-bromofuran-2-yl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105309165
1-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 63840394

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine (CID 63942858) is 1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine is CNC(c1cc(C)ccn1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
The InChIKey is JHDAUJFDCYXOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-8-3-5-15-10(7-8)11(14-2)12-9(13)4-6-16-12/h3-7,11,14H,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine has a molecular weight of 281.15 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 63942858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).