1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide

C19H26IN3O — CID 110947841

IUPAC1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCC(OC)c1ccccc1)NC(C)c1ccccc1.I
InChIInChI=1S/C19H25N3O.HI/c1-15(16-10-6-4-7-11-16)22-19(20-2)21-14-18(23-3)17-12-8-5-9-13-17;/h4-13,15,18H,14H2,1-3H3,(H2,20,21,22);1H
InChIKeyRPWLYPRWPUXNBC-UHFFFAOYSA-N
MW439.34 g/mol
LogP3.92
Rot. Bonds6

About 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide

1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 110947841) has the molecular formula C19H26IN3O and a molecular weight of 439.34 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID110947841
Molecular FormulaC19H26IN3O
Molecular Weight439.34 g/mol
Exact Mass439.11
IUPAC Name1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCC(OC)c1ccccc1)NC(C)c1ccccc1.I
InChIInChI=1S/C19H25N3O.HI/c1-15(16-10-6-4-7-11-16)22-19(20-2)21-14-18(23-3)17-12-8-5-9-13-17;/h4-13,15,18H,14H2,1-3H3,(H2,20,21,22);1H
InChIKeyRPWLYPRWPUXNBC-UHFFFAOYSA-N
XLogP3.92
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 53.92
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342891
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
1-(2-methoxy-2-phenylethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216168
2-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
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
1-[(4-chlorophenyl)methyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine
CID 111131544
2-methyl-1-[4-[methyl(propan-2-yl)amino]butyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950133
2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine
CID 110949098
1-(2-methoxy-2-phenylethyl)-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111875760
1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine;hydroiodide
CID 111362250

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (CID 110947841) is 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide is C/N=C(\NCC(OC)c1ccccc1)NC(C)c1ccccc1.I.
What is the InChIKey of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is RPWLYPRWPUXNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.HI/c1-15(16-10-6-4-7-11-16)22-19(20-2)21-14-18(23-3)17-12-8-5-9-13-17;/h4-13,15,18H,14H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 439.34 g/mol, XLogP of 3.92, 6 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-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110947841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).