1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide

C21H30IN3O — CID 111342342

IUPAC1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCC(C)c1ccccc1)NCC(C)c1ccccc1OC.I
InChIInChI=1S/C21H29N3O.HI/c1-16(18-10-6-5-7-11-18)14-23-21(22-3)24-15-17(2)19-12-8-9-13-20(19)25-4;/h5-13,16-17H,14-15H2,1-4H3,(H2,22,23,24);1H
InChIKeyNOCVDYSFXFTMEC-UHFFFAOYSA-N
MW467.40 g/mol
LogP4.39
Rot. Bonds7

About 1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide

1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide (PubChem CID 111342342) has the molecular formula C21H30IN3O and a molecular weight of 467.40 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
PubChem CID111342342
Molecular FormulaC21H30IN3O
Molecular Weight467.40 g/mol
Exact Mass467.14
IUPAC Name1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCC(C)c1ccccc1)NCC(C)c1ccccc1OC.I
InChIInChI=1S/C21H29N3O.HI/c1-16(18-10-6-5-7-11-18)14-23-21(22-3)24-15-17(2)19-12-8-9-13-20(19)25-4;/h5-13,16-17H,14-15H2,1-4H3,(H2,22,23,24);1H
InChIKeyNOCVDYSFXFTMEC-UHFFFAOYSA-N
XLogP4.39
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 54.39
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-(2-methoxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179155
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703054
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111372596
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111402861
1-butan-2-yl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 110945322
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 109402584
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine;hydroiodide
CID 111971947
1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342891
1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 110991884
1-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111343492
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342612
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342613

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide (CID 111342342) is 1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide is C/N=C(\NCC(C)c1ccccc1)NCC(C)c1ccccc1OC.I.
What is the InChIKey of 1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is NOCVDYSFXFTMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O.HI/c1-16(18-10-6-5-7-11-18)14-23-21(22-3)24-15-17(2)19-12-8-9-13-20(19)25-4;/h5-13,16-17H,14-15H2,1-4H3,(H2,22,23,24);1H.
What are the key properties of 1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide?
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 467.40 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111342342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).