6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine

C13H15BrN2O — CID 114050661

IUPAC6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
SMILESCc1ccc(C(C)Nc2ccc(Br)nc2C)o1
InChIInChI=1S/C13H15BrN2O/c1-8-4-6-12(17-8)10(3)15-11-5-7-13(14)16-9(11)2/h4-7,10,15H,1-3H3
InChIKeyHSSIKMLDMZSPIP-UHFFFAOYSA-N
MW295.18 g/mol
LogP4.23
Rot. Bonds3

About 6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine

6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine (PubChem CID 114050661) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
PubChem CID114050661
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
SMILESCc1ccc(C(C)Nc2ccc(Br)nc2C)o1
InChIInChI=1S/C13H15BrN2O/c1-8-4-6-12(17-8)10(3)15-11-5-7-13(14)16-9(11)2/h4-7,10,15H,1-3H3
InChIKeyHSSIKMLDMZSPIP-UHFFFAOYSA-N
XLogP4.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine 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

N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine
CID 114049353
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81263735
6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine
CID 114050711
5-bromo-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 114259409
2-bromo-5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81271203
4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 113235044
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43194719
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557
2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43124775
2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine
CID 61476589
2-bromo-3-fluoro-4-[1-(5-methylfuran-2-yl)ethylamino]benzoic acid
CID 107540006
5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 107286030

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine?
The IUPAC name of 6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine (CID 114050661) is 6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine is Cc1ccc(C(C)Nc2ccc(Br)nc2C)o1.
What is the InChIKey of 6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine?
The InChIKey is HSSIKMLDMZSPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-4-6-12(17-8)10(3)15-11-5-7-13(14)16-9(11)2/h4-7,10,15H,1-3H3.
What are the key properties of 6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine?
6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine has a molecular weight of 295.18 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 114050661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).