1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine

C21H29N3O2 — CID 111665070

IUPAC1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine
SMILESCCN/C(=N\CCC(O)c1ccccc1)NCCOc1ccccc1C
InChIInChI=1S/C21H29N3O2/c1-3-22-21(23-14-13-19(25)18-10-5-4-6-11-18)24-15-16-26-20-12-8-7-9-17(20)2/h4-12,19,25H,3,13-16H2,1-2H3,(H2,22,23,24)
InChIKeyGZEYLNDCYRWOGI-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.05
Rot. Bonds9

About 1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine

1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine (PubChem CID 111665070) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine
PubChem CID111665070
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine
SMILESCCN/C(=N\CCC(O)c1ccccc1)NCCOc1ccccc1C
InChIInChI=1S/C21H29N3O2/c1-3-22-21(23-14-13-19(25)18-10-5-4-6-11-18)24-15-16-26-20-12-8-7-9-17(20)2/h4-12,19,25H,3,13-16H2,1-2H3,(H2,22,23,24)
InChIKeyGZEYLNDCYRWOGI-UHFFFAOYSA-N
XLogP3.05
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.05
H-Bond Donors ≤ 53
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-ethyl-3-[3-(2-methylphenoxy)propyl]-2-propylguanidine;hydroiodide
CID 111782705
2-(4-ethoxybutyl)-1-ethyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111945973
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine
CID 111665374
3-[2-[[ethylamino-[2-(2-methylphenoxy)ethylamino]methylidene]amino]ethyl]-N-methylbenzamide
CID 111631646
1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111665389
1-ethyl-2-[3-(2-methylphenoxy)propyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111785366
1-ethyl-2-[2-(2-methylphenoxy)ethyl]-3-prop-2-ynylguanidine
CID 136921987
2-[[ethylamino-[3-(2-methylphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111785987
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-[(3-methoxy-4-methylphenyl)methyl]guanidine
CID 111665598
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine
CID 111664962
2-[4-(diethylamino)butyl]-1-ethyl-3-(3-hydroxy-3-phenylpropyl)guanidine
CID 111665790

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine (CID 111665070) is 1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine is CCN/C(=N\CCC(O)c1ccccc1)NCCOc1ccccc1C.
What is the InChIKey of 1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine?
The InChIKey is GZEYLNDCYRWOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-22-21(23-14-13-19(25)18-10-5-4-6-11-18)24-15-16-26-20-12-8-7-9-17(20)2/h4-12,19,25H,3,13-16H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine?
1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine has a molecular weight of 355.48 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine is sourced from PubChem (CID 111665070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).