2-(3,4,5-trimethoxyphenyl)guanidine

C10H15N3O3 — CID 10198427

IUPAC2-(3,4,5-trimethoxyphenyl)guanidine
SMILESCOc1cc(N=C(N)N)cc(OC)c1OC
InChIInChI=1S/C10H15N3O3/c1-14-7-4-6(13-10(11)12)5-8(15-2)9(7)16-3/h4-5H,1-3H3,(H4,11,12,13)
InChIKeyDXUWATABALHSNY-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.62
Rot. Bonds4

About 2-(3,4,5-trimethoxyphenyl)guanidine

2-(3,4,5-trimethoxyphenyl)guanidine (PubChem CID 10198427) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)guanidine
PubChem CID10198427
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(3,4,5-trimethoxyphenyl)guanidine
SMILESCOc1cc(N=C(N)N)cc(OC)c1OC
InChIInChI=1S/C10H15N3O3/c1-14-7-4-6(13-10(11)12)5-8(15-2)9(7)16-3/h4-5H,1-3H3,(H4,11,12,13)
InChIKeyDXUWATABALHSNY-UHFFFAOYSA-N
XLogP0.62
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-fluoro-3-methoxyphenyl)guanidine
CID 114840791
2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid
CID 173248629
2-(4-methoxy-3-methylphenyl)guanidine
CID 62380394
3-[5-[[amino-(diaminomethylideneamino)methylidene]amino]-2,3-dimethoxyphenyl]propanoic acid
CID 168604302
methyl 4-(diaminomethylideneamino)-2-methoxybenzoate;hydrochloride
CID 117064548
3,3-difluoro-N'-[N'-(3,4,5-trimethoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 142741232
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811
[amino(azaniumyl)methylidene]-[11-[amino(azaniumyl)methylidene]azaniumyl-17,23-bis(diaminomethylideneamino)-25,26,27,28-tetramethoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]azanium
CID 101429579
(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 118484582
1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine
CID 2730282
(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 18739111
3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)guanidine?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)guanidine (CID 10198427) is 2-(3,4,5-trimethoxyphenyl)guanidine.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)guanidine?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)guanidine is COc1cc(N=C(N)N)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)guanidine?
The InChIKey is DXUWATABALHSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-14-7-4-6(13-10(11)12)5-8(15-2)9(7)16-3/h4-5H,1-3H3,(H4,11,12,13).
What are the key properties of 2-(3,4,5-trimethoxyphenyl)guanidine?
2-(3,4,5-trimethoxyphenyl)guanidine has a molecular weight of 225.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)guanidine is sourced from PubChem (CID 10198427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).