1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine

C14H18N4O — CID 114419969

IUPAC1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(CCc2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C14H18N4O/c1-10(15)13-9-18(17-16-13)6-4-11-2-3-14-12(8-11)5-7-19-14/h2-3,8-10H,4-7,15H2,1H3
InChIKeyJPLBEZPTQYQNTC-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.48
Rot. Bonds4

About 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine

1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine (PubChem CID 114419969) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine
PubChem CID114419969
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(CCc2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C14H18N4O/c1-10(15)13-9-18(17-16-13)6-4-11-2-3-14-12(8-11)5-7-19-14/h2-3,8-10H,4-7,15H2,1H3
InChIKeyJPLBEZPTQYQNTC-UHFFFAOYSA-N
XLogP1.48
TPSA65.96 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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-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-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine
CID 65446119
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide
CID 146136216
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodo-4-methylpyrazole
CID 79787089
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-propyltriazol-4-amine
CID 79541889
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,3-dimethylpyrazol-4-yl)propan-1-amine
CID 102803817
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one
CID 116553577
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490999
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrazol-3-yl]methanamine
CID 65447276
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine
CID 81189992

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine (CID 114419969) is 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine is CC(N)c1cn(CCc2ccc3c(c2)CCO3)nn1.
What is the InChIKey of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine?
The InChIKey is JPLBEZPTQYQNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(15)13-9-18(17-16-13)6-4-11-2-3-14-12(8-11)5-7-19-14/h2-3,8-10H,4-7,15H2,1H3.
What are the key properties of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine?
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine has a molecular weight of 258.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 114419969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).