1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine

C19H27N3O3 — CID 111502529

IUPAC1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
SMILESC/N=C(/NCC(C)Oc1cccc(OC)c1)NC(C)c1ccc(C)o1
InChIInChI=1S/C19H27N3O3/c1-13-9-10-18(25-13)15(3)22-19(20-4)21-12-14(2)24-17-8-6-7-16(11-17)23-5/h6-11,14-15H,12H2,1-5H3,(H2,20,21,22)
InChIKeyIUABXGFAWCJBJD-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.29
Rot. Bonds7

About 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine

1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine (PubChem CID 111502529) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
PubChem CID111502529
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
SMILESC/N=C(/NCC(C)Oc1cccc(OC)c1)NC(C)c1ccc(C)o1
InChIInChI=1S/C19H27N3O3/c1-13-9-10-18(25-13)15(3)22-19(20-4)21-12-14(2)24-17-8-6-7-16(11-17)23-5/h6-11,14-15H,12H2,1-5H3,(H2,20,21,22)
InChIKeyIUABXGFAWCJBJD-UHFFFAOYSA-N
XLogP3.29
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.29
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

1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111494985
1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine
CID 111679702
1-[2-(3-methoxyphenoxy)propyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111678891
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111679162
1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 111984758
1-[2-(2-methoxyethoxy)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679931
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111679205
2-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 119133116
2-methyl-1-[2-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylethyl)guanidine
CID 111502375
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111679775
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111678973
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[2-(4-methylphenoxy)propyl]guanidine
CID 111788293

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The IUPAC name of 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine (CID 111502529) is 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine is C/N=C(/NCC(C)Oc1cccc(OC)c1)NC(C)c1ccc(C)o1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The InChIKey is IUABXGFAWCJBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-9-10-18(25-13)15(3)22-19(20-4)21-12-14(2)24-17-8-6-7-16(11-17)23-5/h6-11,14-15H,12H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine has a molecular weight of 345.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine is sourced from PubChem (CID 111502529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).