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

C14H23N3O2 — CID 111228199

IUPAC1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine
SMILESCCCN/C(=N/Cc1cccc(OC)c1O)NCC
InChIInChI=1S/C14H23N3O2/c1-4-9-16-14(15-5-2)17-10-11-7-6-8-12(19-3)13(11)18/h6-8,18H,4-5,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyOMDNNWNTTDHWRP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.87
Rot. Bonds6

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

1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine (PubChem CID 111228199) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine
PubChem CID111228199
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine
SMILESCCCN/C(=N/Cc1cccc(OC)c1O)NCC
InChIInChI=1S/C14H23N3O2/c1-4-9-16-14(15-5-2)17-10-11-7-6-8-12(19-3)13(11)18/h6-8,18H,4-5,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyOMDNNWNTTDHWRP-UHFFFAOYSA-N
XLogP1.87
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]guanidine
CID 110966714
1-ethyl-3-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111217858
1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-(5-methylhexyl)guanidine;hydroiodide
CID 111986218
1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111987476
1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111373816
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]guanidine
CID 111989671
1-ethyl-3-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360996
1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125160
1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351487
1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)butyl]guanidine
CID 111988241
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111393334
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]guanidine
CID 111398389

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine?
The IUPAC name of 1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine (CID 111228199) is 1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine.
What is the SMILES notation for 1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine?
The canonical SMILES for 1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine is CCCN/C(=N/Cc1cccc(OC)c1O)NCC.
What is the InChIKey of 1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine?
The InChIKey is OMDNNWNTTDHWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-9-16-14(15-5-2)17-10-11-7-6-8-12(19-3)13(11)18/h6-8,18H,4-5,9-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine?
1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine has a molecular weight of 265.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-propylguanidine is sourced from PubChem (CID 111228199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).