3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine

C18H25N3O2S — CID 111502621

IUPAC3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine
SMILESC/N=C(/NCC(C)Oc1cccc(OC)c1)N(C)Cc1ccsc1
InChIInChI=1S/C18H25N3O2S/c1-14(23-17-7-5-6-16(10-17)22-4)11-20-18(19-2)21(3)12-15-8-9-24-13-15/h5-10,13-14H,11-12H2,1-4H3,(H,19,20)
InChIKeyCRBRCVVUYZAYJF-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.23
Rot. Bonds7

About 3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine

3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine (PubChem CID 111502621) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine
PubChem CID111502621
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine
SMILESC/N=C(/NCC(C)Oc1cccc(OC)c1)N(C)Cc1ccsc1
InChIInChI=1S/C18H25N3O2S/c1-14(23-17-7-5-6-16(10-17)22-4)11-20-18(19-2)21(3)12-15-8-9-24-13-15/h5-10,13-14H,11-12H2,1-4H3,(H,19,20)
InChIKeyCRBRCVVUYZAYJF-UHFFFAOYSA-N
XLogP3.23
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
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-ethyl-3-[2-(3-methoxyphenoxy)propyl]-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111679093
3-(2-ethylbutyl)-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine
CID 111984929
1-[(4-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111272716
1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine
CID 111518221
3-[2-(2-methoxyphenoxy)propyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111503212
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
2-methyl-1-[2-(3-methylphenoxy)propyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111685520
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine
CID 111680068
3-[2-(3-methoxyphenoxy)propylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122004022
3-[2-(3-fluorophenoxy)propyl]-1,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111503486
1-[(4-methoxyphenyl)methyl]-3-[2-(2-methoxyphenyl)propyl]-1,2-dimethylguanidine
CID 111272741
N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide
CID 42163229

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine (CID 111502621) is 3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine is C/N=C(/NCC(C)Oc1cccc(OC)c1)N(C)Cc1ccsc1.
What is the InChIKey of 3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine?
The InChIKey is CRBRCVVUYZAYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14(23-17-7-5-6-16(10-17)22-4)11-20-18(19-2)21(3)12-15-8-9-24-13-15/h5-10,13-14H,11-12H2,1-4H3,(H,19,20).
What are the key properties of 3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine?
3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine has a molecular weight of 347.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 111502621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).