1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine

C21H30N4O2S — CID 111273791

IUPAC1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine
SMILESC/N=C(/NCC(c1cccs1)N1CCOCC1)N(C)CCOc1ccccc1
InChIInChI=1S/C21H30N4O2S/c1-22-21(24(2)10-15-27-18-7-4-3-5-8-18)23-17-19(20-9-6-16-28-20)25-11-13-26-14-12-25/h3-9,16,19H,10-15,17H2,1-2H3,(H,22,23)
InChIKeyWGJPGQBXLMEFSP-UHFFFAOYSA-N
MW402.56 g/mol
LogP2.71
Rot. Bonds8

About 1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine

1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine (PubChem CID 111273791) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine
PubChem CID111273791
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine
SMILESC/N=C(/NCC(c1cccs1)N1CCOCC1)N(C)CCOc1ccccc1
InChIInChI=1S/C21H30N4O2S/c1-22-21(24(2)10-15-27-18-7-4-3-5-8-18)23-17-19(20-9-6-16-28-20)25-11-13-26-14-12-25/h3-9,16,19H,10-15,17H2,1-2H3,(H,22,23)
InChIKeyWGJPGQBXLMEFSP-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.71
H-Bond Donors ≤ 51
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

1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111287088
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-phenoxyacetamide
CID 2316164
N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110933601
1-benzyl-1,2-dimethyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110951391
3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
CID 30606558
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111837621
1-benzyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110953884
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111795328
1-[2-(3-chlorophenoxy)ethyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284492
3-ethyl-1-methyl-2-(2-morpholin-4-ylpropyl)-1-(2-phenoxyethyl)guanidine
CID 111274215
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111282649
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine
CID 111283759

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine (CID 111273791) is 1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine is C/N=C(/NCC(c1cccs1)N1CCOCC1)N(C)CCOc1ccccc1.
What is the InChIKey of 1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine?
The InChIKey is WGJPGQBXLMEFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-22-21(24(2)10-15-27-18-7-4-3-5-8-18)23-17-19(20-9-6-16-28-20)25-11-13-26-14-12-25/h3-9,16,19H,10-15,17H2,1-2H3,(H,22,23).
What are the key properties of 1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine?
1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine has a molecular weight of 402.56 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine is sourced from PubChem (CID 111273791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).