1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine

C18H29N3O — CID 111713694

IUPAC1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/CCc1ccccc1OC)NCC
InChIInChI=1S/C18H29N3O/c1-4-8-15-13-16(15)21-18(19-5-2)20-12-11-14-9-6-7-10-17(14)22-3/h6-7,9-10,15-16H,4-5,8,11-13H2,1-3H3,(H2,19,20,21)
InChIKeyFBILBJWYRIWNGP-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.98
Rot. Bonds8

About 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine

1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine (PubChem CID 111713694) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine
PubChem CID111713694
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/CCc1ccccc1OC)NCC
InChIInChI=1S/C18H29N3O/c1-4-8-15-13-16(15)21-18(19-5-2)20-12-11-14-9-6-7-10-17(14)22-3/h6-7,9-10,15-16H,4-5,8,11-13H2,1-3H3,(H2,19,20,21)
InChIKeyFBILBJWYRIWNGP-UHFFFAOYSA-N
XLogP2.98
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110913747
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine
CID 136922921
1-ethyl-2-(2-methylsulfanylethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713572
1-cyclopropyl-3-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110989120
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111962387
N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713790
1-ethyl-3-[2-(3-hydroxyphenyl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111340973
2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine
CID 111713489
1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400878
1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111547404

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine (CID 111713694) is 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine is CCCC1CC1N/C(=N/CCc1ccccc1OC)NCC.
What is the InChIKey of 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine?
The InChIKey is FBILBJWYRIWNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-8-15-13-16(15)21-18(19-5-2)20-12-11-14-9-6-7-10-17(14)22-3/h6-7,9-10,15-16H,4-5,8,11-13H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine?
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine has a molecular weight of 303.45 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine is sourced from PubChem (CID 111713694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).