1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine

C21H29N3O3 — CID 111277625

IUPAC1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine
SMILESCCN/C(=N\CCc1cccc(OC)c1O)NCCOc1ccc(C)cc1
InChIInChI=1S/C21H29N3O3/c1-4-22-21(24-14-15-27-18-10-8-16(2)9-11-18)23-13-12-17-6-5-7-19(26-3)20(17)25/h5-11,25H,4,12-15H2,1-3H3,(H2,22,23,24)
InChIKeyRFJIEHDBKMUGGK-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.89
Rot. Bonds9

About 1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine

1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine (PubChem CID 111277625) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine
PubChem CID111277625
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine
SMILESCCN/C(=N\CCc1cccc(OC)c1O)NCCOc1ccc(C)cc1
InChIInChI=1S/C21H29N3O3/c1-4-22-21(24-14-15-27-18-10-8-16(2)9-11-18)23-13-12-17-6-5-7-19(26-3)20(17)25/h5-11,25H,4,12-15H2,1-3H3,(H2,22,23,24)
InChIKeyRFJIEHDBKMUGGK-UHFFFAOYSA-N
XLogP2.89
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(3-fluorophenyl)ethyl]-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111396706
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 111277471
1-ethyl-3-(2-phenoxyethyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111004677
1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine
CID 111779909
N-[3-[2-[[N-ethyl-N'-[2-(2-methoxy-5-methylphenyl)ethyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111389064
1-ethyl-3-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194211
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111276791
1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111237517
1-ethyl-3-(2-methoxyethyl)-2-[3-(4-methylphenoxy)propyl]guanidine
CID 110940236
2-[3-(dimethylamino)propyl]-1-ethyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111276717
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748
1-cyclopropyl-3-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110989120

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine (CID 111277625) is 1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine is CCN/C(=N\CCc1cccc(OC)c1O)NCCOc1ccc(C)cc1.
What is the InChIKey of 1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine?
The InChIKey is RFJIEHDBKMUGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-22-21(24-14-15-27-18-10-8-16(2)9-11-18)23-13-12-17-6-5-7-19(26-3)20(17)25/h5-11,25H,4,12-15H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine?
1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine has a molecular weight of 371.48 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine is sourced from PubChem (CID 111277625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).