2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine

C14H23N3O — CID 111022885

IUPAC2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
SMILESCCOCCC/N=C(\N)NCCc1ccccc1
InChIInChI=1S/C14H23N3O/c1-2-18-12-6-10-16-14(15)17-11-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H3,15,16,17)
InChIKeyMFSGZFUWQFBDJF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.56
Rot. Bonds8

About 2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine

2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine (PubChem CID 111022885) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
PubChem CID111022885
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
SMILESCCOCCC/N=C(\N)NCCc1ccccc1
InChIInChI=1S/C14H23N3O/c1-2-18-12-6-10-16-14(15)17-11-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H3,15,16,17)
InChIKeyMFSGZFUWQFBDJF-UHFFFAOYSA-N
XLogP1.56
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111024774
2-(3-ethoxypropyl)-1-[2-(3-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111035389
1-(2-phenylethyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018539
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
1-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111026047
1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-[3-(diethylamino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111025347
2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine
CID 111100210
1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide
CID 110924943
1-hexyl-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018541
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine (CID 111022885) is 2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine is CCOCCC/N=C(\N)NCCc1ccccc1.
What is the InChIKey of 2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine?
The InChIKey is MFSGZFUWQFBDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-18-12-6-10-16-14(15)17-11-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H3,15,16,17).
What are the key properties of 2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine?
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine has a molecular weight of 249.36 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111022885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).