2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine

C16H28N4O2 — CID 111975353

IUPAC2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine
SMILESCCOC(CCN(C)C)C/N=C(\N)Nc1ccc(OC)cc1
InChIInChI=1S/C16H28N4O2/c1-5-22-15(10-11-20(2)3)12-18-16(17)19-13-6-8-14(21-4)9-7-13/h6-9,15H,5,10-12H2,1-4H3,(H3,17,18,19)
InChIKeyBMXYKOCUTXPIPB-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.78
Rot. Bonds9

About 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine

2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine (PubChem CID 111975353) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine
PubChem CID111975353
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine
SMILESCCOC(CCN(C)C)C/N=C(\N)Nc1ccc(OC)cc1
InChIInChI=1S/C16H28N4O2/c1-5-22-15(10-11-20(2)3)12-18-16(17)19-13-6-8-14(21-4)9-7-13/h6-9,15H,5,10-12H2,1-4H3,(H3,17,18,19)
InChIKeyBMXYKOCUTXPIPB-UHFFFAOYSA-N
XLogP1.78
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.78
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-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine
CID 111975333
1-(2,3-dihydro-1H-inden-5-yl)-2-[4-(dimethylamino)-2-ethoxybutyl]guanidine
CID 111975315
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111027269
1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111096559
2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine
CID 111026174
1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]guanidine;hydroiodide
CID 111975052
2-[4-(dimethylamino)-2-ethoxybutyl]-1,1-diethylguanidine;hydroiodide
CID 111975296
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)guanidine
CID 111028142
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111027305
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111034023
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111067384
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine (CID 111975353) is 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine is CCOC(CCN(C)C)C/N=C(\N)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine?
The InChIKey is BMXYKOCUTXPIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-22-15(10-11-20(2)3)12-18-16(17)19-13-6-8-14(21-4)9-7-13/h6-9,15H,5,10-12H2,1-4H3,(H3,17,18,19).
What are the key properties of 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine?
2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine has a molecular weight of 308.43 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 111975353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).