2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide

C17H22IN3O3 — CID 111101198

IUPAC2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
SMILESCCOc1cc(C/N=C(\N)Nc2ccc(OC)cc2)ccc1O.I
InChIInChI=1S/C17H21N3O3.HI/c1-3-23-16-10-12(4-9-15(16)21)11-19-17(18)20-13-5-7-14(22-2)8-6-13;/h4-10,21H,3,11H2,1-2H3,(H3,18,19,20);1H
InChIKeyMKKVWOLGARDVDE-UHFFFAOYSA-N
MW443.29 g/mol
LogP3.34
Rot. Bonds6

About 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide

2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111101198) has the molecular formula C17H22IN3O3 and a molecular weight of 443.29 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
PubChem CID111101198
Molecular FormulaC17H22IN3O3
Molecular Weight443.29 g/mol
Exact Mass443.07
IUPAC Name2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
SMILESCCOc1cc(C/N=C(\N)Nc2ccc(OC)cc2)ccc1O.I
InChIInChI=1S/C17H21N3O3.HI/c1-3-23-16-10-12(4-9-15(16)21)11-19-17(18)20-13-5-7-14(22-2)8-6-13;/h4-10,21H,3,11H2,1-2H3,(H3,18,19,20);1H
InChIKeyMKKVWOLGARDVDE-UHFFFAOYSA-N
XLogP3.34
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111101219
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111809128
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111095695
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111809159
1-(3,4-dimethylphenyl)-2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111809081
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111066621
1-(4-ethylphenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111085688
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
2-[(4-chloro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 110032873
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide (CID 111101198) is 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide is CCOc1cc(C/N=C(\N)Nc2ccc(OC)cc2)ccc1O.I.
What is the InChIKey of 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is MKKVWOLGARDVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.HI/c1-3-23-16-10-12(4-9-15(16)21)11-19-17(18)20-13-5-7-14(22-2)8-6-13;/h4-10,21H,3,11H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide?
2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 443.29 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111101198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).