1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C15H18BrN3O — CID 75508147

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H18BrN3O/c1-18(8-11-7-17-19(2)9-11)10-13-6-14(16)5-12-3-4-20-15(12)13/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyUFERYLUEJINFGH-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.75
Rot. Bonds4

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 75508147) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID75508147
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H18BrN3O/c1-18(8-11-7-17-19(2)9-11)10-13-6-14(16)5-12-3-4-20-15(12)13/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyUFERYLUEJINFGH-UHFFFAOYSA-N
XLogP2.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 75508147) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is CN(Cc1cnn(C)c1)Cc1cc(Br)cc2c1OCC2.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is UFERYLUEJINFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-18(8-11-7-17-19(2)9-11)10-13-6-14(16)5-12-3-4-20-15(12)13/h5-7,9H,3-4,8,10H2,1-2H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 336.23 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 75508147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).