N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine

C13H14N4O — CID 114730268

IUPACN-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn[nH]n1)c1cc2ccccc2o1
InChIInChI=1S/C13H14N4O/c1-2-14-13(10-8-15-17-16-10)12-7-9-5-3-4-6-11(9)18-12/h3-8,13-14H,2H2,1H3,(H,15,16,17)
InChIKeyCLBIYPHTTJXVQI-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.25
Rot. Bonds4

About N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine

N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine (PubChem CID 114730268) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine
PubChem CID114730268
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn[nH]n1)c1cc2ccccc2o1
InChIInChI=1S/C13H14N4O/c1-2-14-13(10-8-15-17-16-10)12-7-9-5-3-4-6-11(9)18-12/h3-8,13-14H,2H2,1H3,(H,15,16,17)
InChIKeyCLBIYPHTTJXVQI-UHFFFAOYSA-N
XLogP2.25
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114730277
N-[1-benzofuran-2-yl-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 114728202
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 63091494
N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 63977090
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine
CID 105044103
N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851
N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106858678
N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 105044180
N-[1-benzofuran-2-yl-(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114729461
N-[1-benzofuran-2-yl-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 114906570

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine (CID 114730268) is N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine is CCNC(c1cn[nH]n1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine?
The InChIKey is CLBIYPHTTJXVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-14-13(10-8-15-17-16-10)12-7-9-5-3-4-6-11(9)18-12/h3-8,13-14H,2H2,1H3,(H,15,16,17).
What are the key properties of N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine?
N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine has a molecular weight of 242.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114730268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).