2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide

C19H24IN3O2 — CID 110930329

IUPAC2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide
SMILESC=CCc1cc(C/N=C(\N)Nc2ccccc2)cc(OC)c1OC.I
InChIInChI=1S/C19H23N3O2.HI/c1-4-8-15-11-14(12-17(23-2)18(15)24-3)13-21-19(20)22-16-9-6-5-7-10-16;/h4-7,9-12H,1,8,13H2,2-3H3,(H3,20,21,22);1H
InChIKeyDCPVJGUEXWPPTQ-UHFFFAOYSA-N
MW453.32 g/mol
LogP3.98
Rot. Bonds7

About 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide

2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide (PubChem CID 110930329) has the molecular formula C19H24IN3O2 and a molecular weight of 453.32 g/mol. Its IUPAC name is 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide
PubChem CID110930329
Molecular FormulaC19H24IN3O2
Molecular Weight453.32 g/mol
Exact Mass453.09
IUPAC Name2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide
SMILESC=CCc1cc(C/N=C(\N)Nc2ccccc2)cc(OC)c1OC.I
InChIInChI=1S/C19H23N3O2.HI/c1-4-8-15-11-14(12-17(23-2)18(15)24-3)13-21-19(20)22-16-9-6-5-7-10-16;/h4-7,9-12H,1,8,13H2,2-3H3,(H3,20,21,22);1H
InChIKeyDCPVJGUEXWPPTQ-UHFFFAOYSA-N
XLogP3.98
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 53.98
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111093548
2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110930328
2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1,3-diethylguanidine
CID 110930320
2-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111094609
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 111117542
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylguanidine;hydroiodide
CID 110930620
2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide
CID 111228476
2-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-1-phenylguanidine;hydroiodide
CID 110930508
1-benzyl-3-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylguanidine
CID 110953464
2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111125647
1-(4-ethylphenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111085688
2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179656

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide (CID 110930329) is 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide is C=CCc1cc(C/N=C(\N)Nc2ccccc2)cc(OC)c1OC.I.
What is the InChIKey of 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is DCPVJGUEXWPPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.HI/c1-4-8-15-11-14(12-17(23-2)18(15)24-3)13-21-19(20)22-16-9-6-5-7-10-16;/h4-7,9-12H,1,8,13H2,2-3H3,(H3,20,21,22);1H.
What are the key properties of 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide?
2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 453.32 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110930329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).