1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide

C18H24IN3O2 — CID 75371532

IUPAC1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCc1cccc(O)c1)NCc1ccccc1OC.I
InChIInChI=1S/C18H23N3O2.HI/c1-19-18(20-11-10-14-6-5-8-16(22)12-14)21-13-15-7-3-4-9-17(15)23-2;/h3-9,12,22H,10-11,13H2,1-2H3,(H2,19,20,21);1H
InChIKeyBLBUNWSKQUWWLZ-UHFFFAOYSA-N
MW441.31 g/mol
LogP2.93
Rot. Bonds6

About 1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide

1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 75371532) has the molecular formula C18H24IN3O2 and a molecular weight of 441.31 g/mol. Its IUPAC name is 1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID75371532
Molecular FormulaC18H24IN3O2
Molecular Weight441.31 g/mol
Exact Mass441.09
IUPAC Name1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCc1cccc(O)c1)NCc1ccccc1OC.I
InChIInChI=1S/C18H23N3O2.HI/c1-19-18(20-11-10-14-6-5-8-16(22)12-14)21-13-15-7-3-4-9-17(15)23-2;/h3-9,12,22H,10-11,13H2,1-2H3,(H2,19,20,21);1H
InChIKeyBLBUNWSKQUWWLZ-UHFFFAOYSA-N
XLogP2.93
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 52.93
H-Bond Donors ≤ 53
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'}

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Related Compounds

1-[(2-methoxyphenyl)methyl]-2-methyl-3-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111601652
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134970
1-ethyl-3-[2-(3-hydroxyphenyl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111340973
1-[(2-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216424
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111218161
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine;hydroiodide
CID 111499368
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111213390
1-[(3-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111176370
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111339958
1-[(2-ethylphenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine
CID 111636111
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111635275
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111213210

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide (CID 75371532) is 1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide is C/N=C(\NCCc1cccc(O)c1)NCc1ccccc1OC.I.
What is the InChIKey of 1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is BLBUNWSKQUWWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.HI/c1-19-18(20-11-10-14-6-5-8-16(22)12-14)21-13-15-7-3-4-9-17(15)23-2;/h3-9,12,22H,10-11,13H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 441.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 75371532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).