2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine

C21H23N3O3 — CID 111597860

IUPAC2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine
SMILESN/C(=N\CCCOCc1ccco1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H23N3O3/c22-21(23-12-6-13-25-16-20-11-5-14-26-20)24-17-7-4-10-19(15-17)27-18-8-2-1-3-9-18/h1-5,7-11,14-15H,6,12-13,16H2,(H3,22,23,24)
InChIKeyPQVJGVNSRVYWAH-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.41
Rot. Bonds9

About 2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine

2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine (PubChem CID 111597860) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine
PubChem CID111597860
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine
SMILESN/C(=N\CCCOCc1ccco1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H23N3O3/c22-21(23-12-6-13-25-16-20-11-5-14-26-20)24-17-7-4-10-19(15-17)27-18-8-2-1-3-9-18/h1-5,7-11,14-15H,6,12-13,16H2,(H3,22,23,24)
InChIKeyPQVJGVNSRVYWAH-UHFFFAOYSA-N
XLogP4.41
TPSA82.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
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

2-[3-(oxolan-3-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine
CID 111818596
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111599045
1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111598315
1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine
CID 111802898
1-(3-ethylphenyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018549
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine
CID 111600655
2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111035557
1-(3-phenoxyphenyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111600134
2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine
CID 111599634
tert-butyl N-[3-[[amino-(3-phenoxyanilino)methylidene]amino]propyl]carbamate
CID 111598244

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine?
The IUPAC name of 2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine (CID 111597860) is 2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine?
The canonical SMILES for 2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine is N/C(=N\CCCOCc1ccco1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine?
The InChIKey is PQVJGVNSRVYWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c22-21(23-12-6-13-25-16-20-11-5-14-26-20)24-17-7-4-10-19(15-17)27-18-8-2-1-3-9-18/h1-5,7-11,14-15H,6,12-13,16H2,(H3,22,23,24).
What are the key properties of 2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine?
2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine has a molecular weight of 365.43 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine is sourced from PubChem (CID 111597860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).