1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine

C16H27N3O — CID 110940214

IUPAC1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine
SMILESC/N=C(\NCCOC)NCC(C)(C)c1ccccc1C
InChIInChI=1S/C16H27N3O/c1-13-8-6-7-9-14(13)16(2,3)12-19-15(17-4)18-10-11-20-5/h6-9H,10-12H2,1-5H3,(H2,17,18,19)
InChIKeyPSJLQWFEISKSDB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.08
Rot. Bonds6

About 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine

1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine (PubChem CID 110940214) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine
PubChem CID110940214
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine
SMILESC/N=C(\NCCOC)NCC(C)(C)c1ccccc1C
InChIInChI=1S/C16H27N3O/c1-13-8-6-7-9-14(13)16(2,3)12-19-15(17-4)18-10-11-20-5/h6-9H,10-12H2,1-5H3,(H2,17,18,19)
InChIKeyPSJLQWFEISKSDB-UHFFFAOYSA-N
XLogP2.08
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide
CID 111894276
2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111627768
1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide
CID 110940215
1-[2-(2-chlorophenyl)-2-methylpropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111406462
1-(2,2-dimethyl-3-phenylpropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111619107
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111605309
2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110968678
2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111259451
1-(2-ethyl-2-phenylbutyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111491715
1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111605777
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111581303
N,N-dimethyl-3-[2-[[N'-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111668122

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine (CID 110940214) is 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine is C/N=C(\NCCOC)NCC(C)(C)c1ccccc1C.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine?
The InChIKey is PSJLQWFEISKSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-8-6-7-9-14(13)16(2,3)12-19-15(17-4)18-10-11-20-5/h6-9H,10-12H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine?
1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine has a molecular weight of 277.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine is sourced from PubChem (CID 110940214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).