1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine

C15H25N3O2 — CID 110975009

IUPAC1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\Cc1ccc(OC)cc1)NCCCOC
InChIInChI=1S/C15H25N3O2/c1-4-16-15(17-10-5-11-19-2)18-12-13-6-8-14(20-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H2,16,17,18)
InChIKeyFIXZTWUAUFSBMQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.79
Rot. Bonds8

About 1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine

1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine (PubChem CID 110975009) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine
PubChem CID110975009
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\Cc1ccc(OC)cc1)NCCCOC
InChIInChI=1S/C15H25N3O2/c1-4-16-15(17-10-5-11-19-2)18-12-13-6-8-14(20-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H2,16,17,18)
InChIKeyFIXZTWUAUFSBMQ-UHFFFAOYSA-N
XLogP1.79
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-ethoxypropyl)-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 110928223
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)propyl]guanidine
CID 111183150
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-ethyl-3-(3-methoxypropyl)guanidine;hydroiodide
CID 110976212
N-ethyl-4-[[[ethylamino-(3-methoxypropylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110973138
1-(3-ethoxypropyl)-3-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111221869
1-ethyl-3-(5-methoxypentyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111245139
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627497
1-ethyl-2,3-bis[(4-methoxyphenyl)methyl]guanidine
CID 111181237
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111183002
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111243949
1-ethyl-3-(5-methoxypentyl)-2-[(3-methoxyphenyl)methyl]guanidine
CID 111251257
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[3-(3-methoxyphenyl)propyl]guanidine
CID 111184168

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine (CID 110975009) is 1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine is CCN/C(=N\Cc1ccc(OC)cc1)NCCCOC.
What is the InChIKey of 1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine?
The InChIKey is FIXZTWUAUFSBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-16-15(17-10-5-11-19-2)18-12-13-6-8-14(20-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine?
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine has a molecular weight of 279.38 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine is sourced from PubChem (CID 110975009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).