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

C18H24N4O — CID 111026174

IUPAC2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C18H24N4O/c1-22(2)17(14-7-5-4-6-8-14)13-20-18(19)21-15-9-11-16(23-3)12-10-15/h4-12,17H,13H2,1-3H3,(H3,19,20,21)
InChIKeyMROIJLSGISJBHV-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.72
Rot. Bonds6

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

2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine (PubChem CID 111026174) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine
PubChem CID111026174
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C18H24N4O/c1-22(2)17(14-7-5-4-6-8-14)13-20-18(19)21-15-9-11-16(23-3)12-10-15/h4-12,17H,13H2,1-3H3,(H3,19,20,21)
InChIKeyMROIJLSGISJBHV-UHFFFAOYSA-N
XLogP2.72
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111027269
2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111029305
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111027305
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)guanidine
CID 111028142
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111029410
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine
CID 111026228
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111056519
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111028906
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111078347
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111067384
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
CID 55079682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine (CID 111026174) is 2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine is COc1ccc(N/C(N)=N/CC(c2ccccc2)N(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine?
The InChIKey is MROIJLSGISJBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-22(2)17(14-7-5-4-6-8-14)13-20-18(19)21-15-9-11-16(23-3)12-10-15/h4-12,17H,13H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine?
2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine has a molecular weight of 312.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 111026174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).