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

C15H20N4O — CID 104999613

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)n1ncnc1CC(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H20N4O/c1-10(2)19-15(17-9-18-19)8-13(16)11-3-4-14-12(7-11)5-6-20-14/h3-4,7,9-10,13H,5-6,8,16H2,1-2H3
InChIKeyHYTZFKYCNABBOT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.04
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104999613) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104999613
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)n1ncnc1CC(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H20N4O/c1-10(2)19-15(17-9-18-19)8-13(16)11-3-4-14-12(7-11)5-6-20-14/h3-4,7,9-10,13H,5-6,8,16H2,1-2H3
InChIKeyHYTZFKYCNABBOT-UHFFFAOYSA-N
XLogP2.04
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine with MolForge

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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)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 114981503
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997578
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105034972
1-(4-tert-butylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999770
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 63046819
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-(3-fluoro-4-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999768
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019746

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 104999613) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is CC(C)n1ncnc1CC(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is HYTZFKYCNABBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)19-15(17-9-18-19)8-13(16)11-3-4-14-12(7-11)5-6-20-14/h3-4,7,9-10,13H,5-6,8,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.04, 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)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104999613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).