2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine

C22H32N4O2S — CID 111704547

IUPAC2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine
SMILESC/N=C(/NCc1ccccc1OCCN1CCOCC1)NCC(C)c1ccsc1
InChIInChI=1S/C22H32N4O2S/c1-18(20-7-14-29-17-20)15-24-22(23-2)25-16-19-5-3-4-6-21(19)28-13-10-26-8-11-27-12-9-26/h3-7,14,17-18H,8-13,15-16H2,1-2H3,(H2,23,24,25)
InChIKeyTVLVUWFRKXEKEA-UHFFFAOYSA-N
MW416.59 g/mol
LogP2.93
Rot. Bonds9

About 2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine

2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine (PubChem CID 111704547) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is 2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine
PubChem CID111704547
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Name2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine
SMILESC/N=C(/NCc1ccccc1OCCN1CCOCC1)NCC(C)c1ccsc1
InChIInChI=1S/C22H32N4O2S/c1-18(20-7-14-29-17-20)15-24-22(23-2)25-16-19-5-3-4-6-21(19)28-13-10-26-8-11-27-12-9-26/h3-7,14,17-18H,8-13,15-16H2,1-2H3,(H2,23,24,25)
InChIKeyTVLVUWFRKXEKEA-UHFFFAOYSA-N
XLogP2.93
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703742
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111217393
1-(3-methoxypropyl)-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 110973903
2-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111899129
2-methyl-1-(2-methylsulfanylethyl)-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111344200
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111681812
1-ethyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111941105
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111611678
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111611677
1-cyclopentyl-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110990264
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111277406
2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine (CID 111704547) is 2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine is C/N=C(/NCc1ccccc1OCCN1CCOCC1)NCC(C)c1ccsc1.
What is the InChIKey of 2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The InChIKey is TVLVUWFRKXEKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-18(20-7-14-29-17-20)15-24-22(23-2)25-16-19-5-3-4-6-21(19)28-13-10-26-8-11-27-12-9-26/h3-7,14,17-18H,8-13,15-16H2,1-2H3,(H2,23,24,25).
What are the key properties of 2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine has a molecular weight of 416.59 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine is sourced from PubChem (CID 111704547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).