1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine

C18H32N4O — CID 111605955

IUPAC1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H32N4O/c1-7-19-17(21-14-18(2,3)23-6)20-13-12-15-8-10-16(11-9-15)22(4)5/h8-11H,7,12-14H2,1-6H3,(H2,19,20,21)
InChIKeyCLMLIZSLABTMPO-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.28
Rot. Bonds8

About 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine

1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine (PubChem CID 111605955) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
PubChem CID111605955
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H32N4O/c1-7-19-17(21-14-18(2,3)23-6)20-13-12-15-8-10-16(11-9-15)22(4)5/h8-11H,7,12-14H2,1-6H3,(H2,19,20,21)
InChIKeyCLMLIZSLABTMPO-UHFFFAOYSA-N
XLogP2.28
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]guanidine;hydroiodide
CID 111607700
2-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111606575
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109472965
2-[(2,4-dimethoxyphenyl)methyl]-1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethylguanidine
CID 111879945
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651124
N-cyclopropyl-2-[4-[2-[[N-ethyl-N'-(2-methoxy-2-methylpropyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111608231
1-[3-(dimethylamino)propyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 111608209
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111607438
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111966965
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine
CID 111265331
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111605564
1-[2-(5-bromothiophen-2-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607156

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
The IUPAC name of 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine (CID 111605955) is 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine is CCN/C(=N\CC(C)(C)OC)NCCc1ccc(N(C)C)cc1.
What is the InChIKey of 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
The InChIKey is CLMLIZSLABTMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-7-19-17(21-14-18(2,3)23-6)20-13-12-15-8-10-16(11-9-15)22(4)5/h8-11H,7,12-14H2,1-6H3,(H2,19,20,21).
What are the key properties of 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine has a molecular weight of 320.48 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine is sourced from PubChem (CID 111605955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).