2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine

C15H21N3O2 — CID 111818050

IUPAC2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(N)=N/CCc1cc2ccccc2o1
InChIInChI=1S/C15H21N3O2/c1-11(10-19-2)18-15(16)17-8-7-13-9-12-5-3-4-6-14(12)20-13/h3-6,9,11H,7-8,10H2,1-2H3,(H3,16,17,18)
InChIKeyBGDNTYCNSBIEQC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.91
Rot. Bonds6

About 2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine

2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine (PubChem CID 111818050) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
PubChem CID111818050
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(N)=N/CCc1cc2ccccc2o1
InChIInChI=1S/C15H21N3O2/c1-11(10-19-2)18-15(16)17-8-7-13-9-12-5-3-4-6-14(12)20-13/h3-6,9,11H,7-8,10H2,1-2H3,(H3,16,17,18)
InChIKeyBGDNTYCNSBIEQC-UHFFFAOYSA-N
XLogP1.91
TPSA72.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
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-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111071410
1-(1-methoxypropan-2-yl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077790
2-[2-(1-benzofuran-2-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111818088
1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine
CID 111031315
2-[2-(1-benzofuran-2-yl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111818054
2-[2-(3,5-dimethylphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111818651
2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111818103
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
2-[2-(2-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111044414
2-[2-(2-ethoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111100181
2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111818113
2-[2-(2,6-difluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111060754

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine (CID 111818050) is 2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine is COCC(C)N/C(N)=N/CCc1cc2ccccc2o1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine?
The InChIKey is BGDNTYCNSBIEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(10-19-2)18-15(16)17-8-7-13-9-12-5-3-4-6-14(12)20-13/h3-6,9,11H,7-8,10H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine?
2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine has a molecular weight of 275.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 111818050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).