1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine

C22H38N4O3 — CID 109406818

IUPAC1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESC/N=C(/NCCOCc1ccccc1OC)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C22H38N4O3/c1-18(2)15-20(26-10-13-28-14-11-26)16-25-22(23-3)24-9-12-29-17-19-7-5-6-8-21(19)27-4/h5-8,18,20H,9-17H2,1-4H3,(H2,23,24,25)
InChIKeyGFSBQHDDZCMBRW-UHFFFAOYSA-N
MW406.57 g/mol
LogP2.12
Rot. Bonds11

About 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine

1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine (PubChem CID 109406818) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
PubChem CID109406818
Molecular FormulaC22H38N4O3
Molecular Weight406.57 g/mol
Exact Mass406.29
IUPAC Name1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESC/N=C(/NCCOCc1ccccc1OC)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C22H38N4O3/c1-18(2)15-20(26-10-13-28-14-11-26)16-25-22(23-3)24-9-12-29-17-19-7-5-6-8-21(19)27-4/h5-8,18,20H,9-17H2,1-4H3,(H2,23,24,25)
InChIKeyGFSBQHDDZCMBRW-UHFFFAOYSA-N
XLogP2.12
TPSA67.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111682384
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111936059
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006584
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935304
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111216987
1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111266471
2-methyl-N-[2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]propanamide
CID 111928490
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 109402584
1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 110954790
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935941
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935488
1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935379

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The IUPAC name of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine (CID 109406818) is 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine.
What is the SMILES notation for 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The canonical SMILES for 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine is C/N=C(/NCCOCc1ccccc1OC)NCC(CC(C)C)N1CCOCC1.
What is the InChIKey of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The InChIKey is GFSBQHDDZCMBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-18(2)15-20(26-10-13-28-14-11-26)16-25-22(23-3)24-9-12-29-17-19-7-5-6-8-21(19)27-4/h5-8,18,20H,9-17H2,1-4H3,(H2,23,24,25).
What are the key properties of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine has a molecular weight of 406.57 g/mol, XLogP of 2.12, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine is sourced from PubChem (CID 109406818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).