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

C15H25N3O — CID 111180513

IUPAC1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)c1)NCC(C)C
InChIInChI=1S/C15H25N3O/c1-5-16-15(17-10-12(2)3)18-11-13-7-6-8-14(9-13)19-4/h6-9,12H,5,10-11H2,1-4H3,(H2,16,17,18)
InChIKeyGJOSESUCLGGUDW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.41
Rot. Bonds6

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

1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine (PubChem CID 111180513) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
PubChem CID111180513
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)c1)NCC(C)C
InChIInChI=1S/C15H25N3O/c1-5-16-15(17-10-12(2)3)18-11-13-7-6-8-14(9-13)19-4/h6-9,12H,5,10-11H2,1-4H3,(H2,16,17,18)
InChIKeyGJOSESUCLGGUDW-UHFFFAOYSA-N
XLogP2.41
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.41
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-ethyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111249504
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine
CID 111225399
1-ethyl-2,3-bis[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111249108
N-[2-[[N-ethyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111249191
2-[3-[[[ethylamino-(2-methylpropylamino)methylidene]amino]methyl]phenoxy]acetamide
CID 111761891
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine
CID 111249591
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine
CID 111755297
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111250808
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(3-propan-2-yloxypropyl)guanidine
CID 111246563
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-ethyl-3-(2-ethylsulfonylethyl)-2-[(3-methoxyphenyl)methyl]guanidine
CID 111250781

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine (CID 111180513) is 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine is CCN/C(=N\Cc1cccc(OC)c1)NCC(C)C.
What is the InChIKey of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine?
The InChIKey is GJOSESUCLGGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-16-15(17-10-12(2)3)18-11-13-7-6-8-14(9-13)19-4/h6-9,12H,5,10-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine?
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine has a molecular weight of 263.38 g/mol, XLogP of 2.41, 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-methylpropyl)guanidine is sourced from PubChem (CID 111180513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).