1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine

C20H25N3O — CID 111251167

IUPAC1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)c1)NC1CC1c1ccccc1
InChIInChI=1S/C20H25N3O/c1-3-21-20(22-14-15-8-7-11-17(12-15)24-2)23-19-13-18(19)16-9-5-4-6-10-16/h4-12,18-19H,3,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyVMRMFKQMNXNKSB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.31
Rot. Bonds6

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

1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine (PubChem CID 111251167) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine
PubChem CID111251167
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)c1)NC1CC1c1ccccc1
InChIInChI=1S/C20H25N3O/c1-3-21-20(22-14-15-8-7-11-17(12-15)24-2)23-19-13-18(19)16-9-5-4-6-10-16/h4-12,18-19H,3,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyVMRMFKQMNXNKSB-UHFFFAOYSA-N
XLogP3.31
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.31
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-cyclopropyl-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 110988653
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
1-ethyl-2,3-bis[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111249108
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine
CID 111225399
1-ethyl-3-(2-phenylcyclopropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111259689
1-ethyl-2-(2-methylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 111180959
2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111152146
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[(3-fluorophenyl)methyl]guanidine
CID 111877779
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]guanidine
CID 111243495
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]guanidine
CID 111250251
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine
CID 111142958
1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[(3-methoxyphenyl)methyl]guanidine
CID 111965623

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine (CID 111251167) is 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine is CCN/C(=N\Cc1cccc(OC)c1)NC1CC1c1ccccc1.
What is the InChIKey of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine?
The InChIKey is VMRMFKQMNXNKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-21-20(22-14-15-8-7-11-17(12-15)24-2)23-19-13-18(19)16-9-5-4-6-10-16/h4-12,18-19H,3,13-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine?
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine has a molecular weight of 323.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 111251167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).