1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

C15H24IN3O2 — CID 111961890

IUPAC1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOc1cccc(OC)c1)NC1CC1C.I
InChIInChI=1S/C15H23N3O2.HI/c1-11-9-14(11)18-15(16-2)17-7-8-20-13-6-4-5-12(10-13)19-3;/h4-6,10-11,14H,7-9H2,1-3H3,(H2,16,17,18);1H
InChIKeyRSCMYFLHPWXALM-UHFFFAOYSA-N
MW405.28 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (PubChem CID 111961890) has the molecular formula C15H24IN3O2 and a molecular weight of 405.28 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
PubChem CID111961890
Molecular FormulaC15H24IN3O2
Molecular Weight405.28 g/mol
Exact Mass405.09
IUPAC Name1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOc1cccc(OC)c1)NC1CC1C.I
InChIInChI=1S/C15H23N3O2.HI/c1-11-9-14(11)18-15(16-2)17-7-8-20-13-6-4-5-12(10-13)19-3;/h4-6,10-11,14H,7-9H2,1-3H3,(H2,16,17,18);1H
InChIKeyRSCMYFLHPWXALM-UHFFFAOYSA-N
XLogP2.27
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methyl-1-(2-methylcyclopropyl)-3-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111366816
1-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962696
1-[3-(3-methoxyphenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111794062
1-(1-benzylpiperidin-4-yl)-3-[2-(3-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110985725
2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
CID 111961612
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962191
1-[3-(cyclopropylmethoxy)propyl]-3-[3-(3-methoxyphenoxy)propyl]-2-methylguanidine
CID 111797532
1-(1-benzylpiperidin-4-yl)-3-[2-(3-methoxyphenoxy)ethyl]-2-methylguanidine
CID 110985726
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713498
1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410312
1-[3-(3-methoxyphenoxy)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111795725
1-[3-(3-methoxyphenoxy)propyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111792786

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (CID 111961890) is 1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is C/N=C(\NCCOc1cccc(OC)c1)NC1CC1C.I.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The InChIKey is RSCMYFLHPWXALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.HI/c1-11-9-14(11)18-15(16-2)17-7-8-20-13-6-4-5-12(10-13)19-3;/h4-6,10-11,14H,7-9H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide has a molecular weight of 405.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111961890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).