1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine

C16H27N3O2 — CID 75532528

IUPAC1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine
SMILESC/N=C(/NCCCCOCc1ccccc1)NCCOC
InChIInChI=1S/C16H27N3O2/c1-17-16(19-11-13-20-2)18-10-6-7-12-21-14-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-14H2,1-2H3,(H2,17,18,19)
InChIKeyHHFCFSCWSDIVLJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.79
Rot. Bonds10

About 1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine

1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine (PubChem CID 75532528) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine
PubChem CID75532528
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine
SMILESC/N=C(/NCCCCOCc1ccccc1)NCCOC
InChIInChI=1S/C16H27N3O2/c1-17-16(19-11-13-20-2)18-10-6-7-12-21-14-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-14H2,1-2H3,(H2,17,18,19)
InChIKeyHHFCFSCWSDIVLJ-UHFFFAOYSA-N
XLogP1.79
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(4-phenylmethoxybutyl)guanidine
CID 111404807
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-phenylmethoxyethyl)guanidine
CID 111965273
2-methyl-1-(4-phenylmethoxybutyl)-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199539
2-methyl-1-(3-phenoxypropyl)-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111417746
2-methyl-1-(4-phenylmethoxybutyl)-3-(2-phenylpropyl)guanidine
CID 111342493
2-methyl-1-(2-methylpropyl)-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111178713
2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine
CID 111964503
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine
CID 109408775
1-(3-methoxypropyl)-2-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110973519
1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111136419
2-methyl-1-(2-methylcyclopropyl)-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111963724
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198733

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine (CID 75532528) is 1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine is C/N=C(/NCCCCOCc1ccccc1)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine?
The InChIKey is HHFCFSCWSDIVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-17-16(19-11-13-20-2)18-10-6-7-12-21-14-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-14H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine?
1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine has a molecular weight of 293.41 g/mol, XLogP of 1.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine is sourced from PubChem (CID 75532528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).