1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine

C14H23N3O — CID 111170675

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCCc1ccc(OC)cc1
InChIInChI=1S/C14H23N3O/c1-4-10-16-14(15-2)17-11-9-12-5-7-13(18-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H2,15,16,17)
InChIKeySBKNCQJOWIXFSV-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine

1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine (PubChem CID 111170675) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine
PubChem CID111170675
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCCc1ccc(OC)cc1
InChIInChI=1S/C14H23N3O/c1-4-10-16-14(15-2)17-11-9-12-5-7-13(18-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H2,15,16,17)
InChIKeySBKNCQJOWIXFSV-UHFFFAOYSA-N
XLogP1.81
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
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'}

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110913986
2-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-3-propylguanidine
CID 111227199
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111171171
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125708
1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 110965810
1-[2-(3-methoxy-4-methylphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111589362
N-[4-[2-[[N-[2-(4-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111171165
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111171272
1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine
CID 111239295
2-methyl-1-propyl-3-[2-(4-prop-2-ynoxyphenyl)ethyl]guanidine
CID 111228051
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111170022
1-[2-(2,5-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111170415

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine (CID 111170675) is 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine is CCCN/C(=N\C)NCCc1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine?
The InChIKey is SBKNCQJOWIXFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-10-16-14(15-2)17-11-9-12-5-7-13(18-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine?
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine has a molecular weight of 249.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine is sourced from PubChem (CID 111170675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).