1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine

C18H26N4O2 — CID 111356338

IUPAC1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccco1)NCc1ccc(NCCOC)cc1
InChIInChI=1S/C18H26N4O2/c1-19-18(21-10-9-17-4-3-12-24-17)22-14-15-5-7-16(8-6-15)20-11-13-23-2/h3-8,12,20H,9-11,13-14H2,1-2H3,(H2,19,21,22)
InChIKeyWJXDUQHUNZZDTQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.25
Rot. Bonds9

About 1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine

1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine (PubChem CID 111356338) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine
PubChem CID111356338
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccco1)NCc1ccc(NCCOC)cc1
InChIInChI=1S/C18H26N4O2/c1-19-18(21-10-9-17-4-3-12-24-17)22-14-15-5-7-16(8-6-15)20-11-13-23-2/h3-8,12,20H,9-11,13-14H2,1-2H3,(H2,19,21,22)
InChIKeyWJXDUQHUNZZDTQ-UHFFFAOYSA-N
XLogP2.25
TPSA70.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine
CID 111151278
1-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194469
1-[(4-cyanophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111354529
1-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111260135
1-[2-(furan-2-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111354350
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine
CID 111380934
1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111353768
4-[[[N-[2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111356496
1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111355335
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111380933
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111838821
1-[2-(1H-indol-3-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110996132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine (CID 111356338) is 1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine is C/N=C(\NCCc1ccco1)NCc1ccc(NCCOC)cc1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine?
The InChIKey is WJXDUQHUNZZDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-19-18(21-10-9-17-4-3-12-24-17)22-14-15-5-7-16(8-6-15)20-11-13-23-2/h3-8,12,20H,9-11,13-14H2,1-2H3,(H2,19,21,22).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine?
1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine has a molecular weight of 330.43 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine is sourced from PubChem (CID 111356338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).