1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine

C20H27N3O — CID 111342891

IUPAC1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine
SMILESC/N=C(\NCC(C)c1ccccc1)NCC(OC)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-16(17-10-6-4-7-11-17)14-22-20(21-2)23-15-19(24-3)18-12-8-5-9-13-18/h4-13,16,19H,14-15H2,1-3H3,(H2,21,22,23)
InChIKeyUYEUPNDUQBOYDZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.34
Rot. Bonds7

About 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine

1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine (PubChem CID 111342891) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine
PubChem CID111342891
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine
SMILESC/N=C(\NCC(C)c1ccccc1)NCC(OC)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-16(17-10-6-4-7-11-17)14-22-20(21-2)23-15-19(24-3)18-12-8-5-9-13-18/h4-13,16,19H,14-15H2,1-3H3,(H2,21,22,23)
InChIKeyUYEUPNDUQBOYDZ-UHFFFAOYSA-N
XLogP3.34
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110947841
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342342
1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine
CID 110953982
1-[(4-chlorophenyl)methyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine
CID 111131544
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342922
1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 110953981
1-(2-methoxy-2-phenylethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216168
1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine
CID 111679702
1-(2-methoxy-2-phenylethyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111650318
1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine
CID 111875803
1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673983
1-(3-ethoxy-4-methylpentyl)-3-(2-methoxy-2-phenylethyl)-2-methylguanidine;hydroiodide
CID 111716859

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine?
The IUPAC name of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine (CID 111342891) is 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine.
What is the SMILES notation for 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine?
The canonical SMILES for 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine is C/N=C(\NCC(C)c1ccccc1)NCC(OC)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine?
The InChIKey is UYEUPNDUQBOYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16(17-10-6-4-7-11-17)14-22-20(21-2)23-15-19(24-3)18-12-8-5-9-13-18/h4-13,16,19H,14-15H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine?
1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine has a molecular weight of 325.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine is sourced from PubChem (CID 111342891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).