2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide

C19H26IN3O2 — CID 111032693

IUPAC2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(OCc2ccccc2)c(OC)c1.I
InChIInChI=1S/C19H25N3O2.HI/c1-3-11-21-19(20)22-13-16-9-10-17(18(12-16)23-2)24-14-15-7-5-4-6-8-15;/h4-10,12H,3,11,13-14H2,1-2H3,(H3,20,21,22);1H
InChIKeyRMGZCSOSKNLULL-UHFFFAOYSA-N
MW455.34 g/mol
LogP3.71
Rot. Bonds8

About 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide

2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide (PubChem CID 111032693) has the molecular formula C19H26IN3O2 and a molecular weight of 455.34 g/mol. Its IUPAC name is 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
PubChem CID111032693
Molecular FormulaC19H26IN3O2
Molecular Weight455.34 g/mol
Exact Mass455.11
IUPAC Name2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(OCc2ccccc2)c(OC)c1.I
InChIInChI=1S/C19H25N3O2.HI/c1-3-11-21-19(20)22-13-16-9-10-17(18(12-16)23-2)24-14-15-7-5-4-6-8-15;/h4-10,12H,3,11,13-14H2,1-2H3,(H3,20,21,22);1H
InChIKeyRMGZCSOSKNLULL-UHFFFAOYSA-N
XLogP3.71
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 53.71
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-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111032714
1-(3-methoxyphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111032679
2-[[4-(phenoxymethyl)phenyl]methyl]-1-propylguanidine
CID 111054261
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-propylguanidine;hydroiodide
CID 111051731
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111053130
2-[(3,4-dimethoxyphenyl)methyl]-1-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050577
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]guanidine
CID 111032722
3-[[[amino-[(3,4-dimethoxyphenyl)methylamino]methylidene]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111058671
1-ethyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344398
2-[(3,4-dimethoxyphenyl)methyl]-1-(2-ethoxyethyl)guanidine;hydroiodide
CID 111045553
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
CID 111084988
N-[2-[[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111042731

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide (CID 111032693) is 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/Cc1ccc(OCc2ccccc2)c(OC)c1.I.
What is the InChIKey of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide?
The InChIKey is RMGZCSOSKNLULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.HI/c1-3-11-21-19(20)22-13-16-9-10-17(18(12-16)23-2)24-14-15-7-5-4-6-8-15;/h4-10,12H,3,11,13-14H2,1-2H3,(H3,20,21,22);1H.
What are the key properties of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide?
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide has a molecular weight of 455.34 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111032693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).