1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C14H18N4O — CID 104997578

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCNC(Cc1ncnn1C)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N4O/c1-15-12(8-14-16-9-17-18(14)2)10-3-4-13-11(7-10)5-6-19-13/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeySGABSIYANHKHPF-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.25
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104997578) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104997578
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCNC(Cc1ncnn1C)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N4O/c1-15-12(8-14-16-9-17-18(14)2)10-3-4-13-11(7-10)5-6-19-13/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeySGABSIYANHKHPF-UHFFFAOYSA-N
XLogP1.25
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine 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-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999513
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030944
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064792
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 63044758
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999613
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019626
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997507
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547142
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 104997578) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CNC(Cc1ncnn1C)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is SGABSIYANHKHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-12(8-14-16-9-17-18(14)2)10-3-4-13-11(7-10)5-6-19-13/h3-4,7,9,12,15H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 258.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104997578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).