1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine

C18H32N4O2 — CID 111097371

IUPAC1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine
SMILESCOCCN(C)CCOc1cccc(C/N=C(\N)NC(C)(C)C)c1
InChIInChI=1S/C18H32N4O2/c1-18(2,3)21-17(19)20-14-15-7-6-8-16(13-15)24-12-10-22(4)9-11-23-5/h6-8,13H,9-12,14H2,1-5H3,(H3,19,20,21)
InChIKeyUPEFNQWFJUTWNH-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.85
Rot. Bonds9

About 1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine

1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine (PubChem CID 111097371) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine
PubChem CID111097371
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine
SMILESCOCCN(C)CCOc1cccc(C/N=C(\N)NC(C)(C)C)c1
InChIInChI=1S/C18H32N4O2/c1-18(2,3)21-17(19)20-14-15-7-6-8-16(13-15)24-12-10-22(4)9-11-23-5/h6-8,13H,9-12,14H2,1-5H3,(H3,19,20,21)
InChIKeyUPEFNQWFJUTWNH-UHFFFAOYSA-N
XLogP1.85
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110935270
1-tert-butyl-2-[(3-ethoxyphenyl)methyl]guanidine
CID 62362866
1-(2,3-dihydro-1H-inden-5-yl)-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 111097390
1-tert-butyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 110912175
2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111061365
1-ethyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111235210
1-(3,5-dimethylphenyl)-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061374
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111047882
1-ethyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978736
1-tert-butyl-2-[(3-chlorophenyl)methyl]guanidine
CID 62531902
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 109420401
1-butyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111061369

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine (CID 111097371) is 1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine is COCCN(C)CCOc1cccc(C/N=C(\N)NC(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine?
The InChIKey is UPEFNQWFJUTWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-18(2,3)21-17(19)20-14-15-7-6-8-16(13-15)24-12-10-22(4)9-11-23-5/h6-8,13H,9-12,14H2,1-5H3,(H3,19,20,21).
What are the key properties of 1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine?
1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine has a molecular weight of 336.48 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine is sourced from PubChem (CID 111097371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).