2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide

C13H22IN3O2 — CID 111022345

IUPAC2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(OC)cc1OC.I
InChIInChI=1S/C13H21N3O2.HI/c1-4-7-15-13(14)16-9-10-5-6-11(17-2)8-12(10)18-3;/h5-6,8H,4,7,9H2,1-3H3,(H3,14,15,16);1H
InChIKeyISRKLANXWYGGDY-UHFFFAOYSA-N
MW379.24 g/mol
LogP2.14
Rot. Bonds6

About 2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide

2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide (PubChem CID 111022345) has the molecular formula C13H22IN3O2 and a molecular weight of 379.24 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
PubChem CID111022345
Molecular FormulaC13H22IN3O2
Molecular Weight379.24 g/mol
Exact Mass379.08
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(OC)cc1OC.I
InChIInChI=1S/C13H21N3O2.HI/c1-4-7-15-13(14)16-9-10-5-6-11(17-2)8-12(10)18-3;/h5-6,8H,4,7,9H2,1-3H3,(H3,14,15,16);1H
InChIKeyISRKLANXWYGGDY-UHFFFAOYSA-N
XLogP2.14
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 52.14
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'}

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl]-1-hexylguanidine
CID 111044198
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111095787
2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 155435073
1-butyl-2-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 111032462
2-[(2,4-dimethoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111044248
2-[(2,4-dimethoxyphenyl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111044199
1-butyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111051883
2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111335917
1-(2-butoxyethyl)-2-[(2,4-dimethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111878602
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-ethylsulfonylethyl)guanidine;hydroiodide
CID 111879914
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111044221
2-[(4-bromo-2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111808721

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide (CID 111022345) is 2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/Cc1ccc(OC)cc1OC.I.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide?
The InChIKey is ISRKLANXWYGGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.HI/c1-4-7-15-13(14)16-9-10-5-6-11(17-2)8-12(10)18-3;/h5-6,8H,4,7,9H2,1-3H3,(H3,14,15,16);1H.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide?
2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide has a molecular weight of 379.24 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111022345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).