1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

C15H24IN3O — CID 111034980

IUPAC1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCc1cc(C)ccc1OC.I
InChIInChI=1S/C15H23N3O.HI/c1-11(2)10-18-15(16)17-8-7-13-9-12(3)5-6-14(13)19-4;/h5-6,9H,1,7-8,10H2,2-4H3,(H3,16,17,18);1H
InChIKeyLXGOVDIZPUIFMO-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.64
Rot. Bonds6

About 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 111034980) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID111034980
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCc1cc(C)ccc1OC.I
InChIInChI=1S/C15H23N3O.HI/c1-11(2)10-18-15(16)17-8-7-13-9-12(3)5-6-14(13)19-4;/h5-6,9H,1,7-8,10H2,2-4H3,(H3,16,17,18);1H
InChIKeyLXGOVDIZPUIFMO-UHFFFAOYSA-N
XLogP2.64
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.64
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 110913472
1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111092547
1-[2-(4-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111601681
2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365696
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 33033808
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111368350
1-[2-(4-fluorophenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025566
1-(3,5-dimethylphenyl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111034928
N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115261072
1-[2-(2-methoxyethoxy)ethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111388811
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 111044421

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 111034980) is 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCc1cc(C)ccc1OC.I.
What is the InChIKey of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is LXGOVDIZPUIFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.HI/c1-11(2)10-18-15(16)17-8-7-13-9-12(3)5-6-14(13)19-4;/h5-6,9H,1,7-8,10H2,2-4H3,(H3,16,17,18);1H.
What are the key properties of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 389.28 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 111034980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).