1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

C15H18N4O — CID 114688965

IUPAC1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1coc2ccccc12
InChIInChI=1S/C15H18N4O/c1-3-8-19-13(9-17-18-19)15(16-2)12-10-20-14-7-5-4-6-11(12)14/h4-7,9-10,15-16H,3,8H2,1-2H3
InChIKeyGBKHLONEUVCLAC-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.74
Rot. Bonds5

About 1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 114688965) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
PubChem CID114688965
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1coc2ccccc12
InChIInChI=1S/C15H18N4O/c1-3-8-19-13(9-17-18-19)15(16-2)12-10-20-14-7-5-4-6-11(12)14/h4-7,9-10,15-16H,3,8H2,1-2H3
InChIKeyGBKHLONEUVCLAC-UHFFFAOYSA-N
XLogP2.74
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)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

N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 103128167
1-[2-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038764
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541
N-methyl-1-(3-propyltriazol-4-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 105038832
N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine
CID 114687701
1-(2,5-dibromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038962
N-methyl-1-(4-methylthiophen-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 114688675
1-(3-bromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687111
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038680
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038917
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine
CID 114687409

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (CID 114688965) is 1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is GBKHLONEUVCLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-8-19-13(9-17-18-19)15(16-2)12-10-20-14-7-5-4-6-11(12)14/h4-7,9-10,15-16H,3,8H2,1-2H3.
What are the key properties of 1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 270.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).