2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine

C18H26N4O2 — CID 111078347

IUPAC2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine
SMILESCCN(CC)C(C/N=C(\N)Nc1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C18H26N4O2/c1-4-22(5-2)16(17-7-6-12-24-17)13-20-18(19)21-14-8-10-15(23-3)11-9-14/h6-12,16H,4-5,13H2,1-3H3,(H3,19,20,21)
InChIKeySKUSUVGFSOHCPZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.10
Rot. Bonds8

About 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine

2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine (PubChem CID 111078347) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine
PubChem CID111078347
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine
SMILESCCN(CC)C(C/N=C(\N)Nc1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C18H26N4O2/c1-4-22(5-2)16(17-7-6-12-24-17)13-20-18(19)21-14-8-10-15(23-3)11-9-14/h6-12,16H,4-5,13H2,1-3H3,(H3,19,20,21)
InChIKeySKUSUVGFSOHCPZ-UHFFFAOYSA-N
XLogP3.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111027585
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111078422
2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine
CID 111026174
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111027269
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111027561
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)guanidine
CID 111028142
2-[2-(furan-2-yl)-2-hydroxyethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111058228
1-(4-butan-2-ylphenyl)-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058194
2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111029305
1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
CID 111027530
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111027305
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine (CID 111078347) is 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine is CCN(CC)C(C/N=C(\N)Nc1ccc(OC)cc1)c1ccco1.
What is the InChIKey of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine?
The InChIKey is SKUSUVGFSOHCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-22(5-2)16(17-7-6-12-24-17)13-20-18(19)21-14-8-10-15(23-3)11-9-14/h6-12,16H,4-5,13H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine?
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine has a molecular weight of 330.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 111078347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).