3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide

C11H15N3O — CID 154235162

IUPAC3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C(CCN)CO2
InChIInChI=1S/C11H15N3O/c12-4-3-8-6-15-10-2-1-7(11(13)14)5-9(8)10/h1-2,5,8H,3-4,6,12H2,(H3,13,14)
InChIKeyXQWDYJNAIOGDIW-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.80
Rot. Bonds3

About 3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide

3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide (PubChem CID 154235162) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide
PubChem CID154235162
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C(CCN)CO2
InChIInChI=1S/C11H15N3O/c12-4-3-8-6-15-10-2-1-7(11(13)14)5-9(8)10/h1-2,5,8H,3-4,6,12H2,(H3,13,14)
InChIKeyXQWDYJNAIOGDIW-UHFFFAOYSA-N
XLogP0.80
TPSA85.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydro-1-benzofuran-5-ylmethanamine
CID 2735367
(2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28063033
7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide
CID 10540301
Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride
CID 57953
(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 6485437
2-(2,3-Dihydro-1-benzofuran-5-yl)ethan-1-amine hydrochloride
CID 22391011
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-amine
CID 29890534
(S)-1-(2,3-dihydrobenzofuran-5-yl)ethanamine
CID 29890537
1-(2,3-Dihydro-1-benzofuran-5-yl)ethan-1-amine hydrochloride
CID 76045120
5-Methyl-2,3-dihydro-1-benzofuran-3-amine
CID 13778154
2,3-Dihydro-5-benzofuranethanamine
CID 16788767
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-amine
CID 82758110

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide?
The IUPAC name of 3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide (CID 154235162) is 3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide.
What is the SMILES notation for 3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide?
The canonical SMILES for 3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C(CCN)CO2.
What is the InChIKey of 3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide?
The InChIKey is XQWDYJNAIOGDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-4-3-8-6-15-10-2-1-7(11(13)14)5-9(8)10/h1-2,5,8H,3-4,6,12H2,(H3,13,14).
What are the key properties of 3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide?
3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide has a molecular weight of 205.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2,3-dihydro-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 154235162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).