1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine

C17H29N3O2 — CID 111224675

IUPAC1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
SMILESCCOCCCN/C(=N\C)NCC(C)c1ccccc1OC
InChIInChI=1S/C17H29N3O2/c1-5-22-12-8-11-19-17(18-3)20-13-14(2)15-9-6-7-10-16(15)21-4/h6-7,9-10,14H,5,8,11-13H2,1-4H3,(H2,18,19,20)
InChIKeyHJXFEBMIBKZLPE-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.39
Rot. Bonds9

About 1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine

1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine (PubChem CID 111224675) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
PubChem CID111224675
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
SMILESCCOCCCN/C(=N\C)NCC(C)c1ccccc1OC
InChIInChI=1S/C17H29N3O2/c1-5-22-12-8-11-19-17(18-3)20-13-14(2)15-9-6-7-10-16(15)21-4/h6-7,9-10,14H,5,8,11-13H2,1-4H3,(H2,18,19,20)
InChIKeyHJXFEBMIBKZLPE-UHFFFAOYSA-N
XLogP2.39
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.39
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'}

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Related Compounds

1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642382
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111402861
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine;hydroiodide
CID 111971947
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179155
1-[3-(3-ethoxy-4-methoxyphenyl)propyl]-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 111574185
1-(3-butoxypropyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111239169
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111372596
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342342
1-butan-2-yl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 110945322
1-[2-(2-bromophenoxy)propyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111968582
1-[2-(2,6-dichlorophenyl)propyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111944521
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 111280553

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine?
The IUPAC name of 1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine (CID 111224675) is 1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine is CCOCCCN/C(=N\C)NCC(C)c1ccccc1OC.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine?
The InChIKey is HJXFEBMIBKZLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-5-22-12-8-11-19-17(18-3)20-13-14(2)15-9-6-7-10-16(15)21-4/h6-7,9-10,14H,5,8,11-13H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine?
1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine has a molecular weight of 307.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine is sourced from PubChem (CID 111224675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).