3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide

C17H20N2O4 — CID 82253908

IUPAC3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C17H20N2O4/c1-20-14-7-11(8-15(21-2)16(14)22-3)10-23-13-6-4-5-12(9-13)17(18)19/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeySNWZYAKOSSGZIL-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.58
Rot. Bonds7

About 3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide

3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide (PubChem CID 82253908) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide
PubChem CID82253908
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C17H20N2O4/c1-20-14-7-11(8-15(21-2)16(14)22-3)10-23-13-6-4-5-12(9-13)17(18)19/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeySNWZYAKOSSGZIL-UHFFFAOYSA-N
XLogP2.58
TPSA86.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[[3-[(3-carbamimidoylphenoxy)methyl]-5-methylphenyl]methoxy]benzenecarboximidamide;dihydrochloride
CID 156508315
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 82918831
3-[[3-(4-carbamimidoylphenyl)-5-hydroxyphenyl]methoxy]benzenecarboximidamide
CID 173254483
methyl 4-[(3-carbamimidoylphenoxy)methyl]-2-(3-carbamimidoylphenyl)benzoate
CID 142051772
3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24709656
3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide
CID 112650495
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 61388847
3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 24702581
3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 103567747

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide (CID 82253908) is 3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCc2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide?
The InChIKey is SNWZYAKOSSGZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-20-14-7-11(8-15(21-2)16(14)22-3)10-23-13-6-4-5-12(9-13)17(18)19/h4-9H,10H2,1-3H3,(H3,18,19).
What are the key properties of 3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide?
3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide has a molecular weight of 316.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 82253908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).