3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide

C15H18N2O2S — CID 103567773

IUPAC3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCc2ccc(CC)s2)c1
InChIInChI=1S/C15H18N2O2S/c1-3-13-4-5-14(20-13)9-19-12-7-10(15(16)17)6-11(8-12)18-2/h4-8H,3,9H2,1-2H3,(H3,16,17)
InChIKeyJDVKFHKWKXAHLN-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.18
Rot. Bonds6

About 3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide

3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide (PubChem CID 103567773) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
PubChem CID103567773
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCc2ccc(CC)s2)c1
InChIInChI=1S/C15H18N2O2S/c1-3-13-4-5-14(20-13)9-19-12-7-10(15(16)17)6-11(8-12)18-2/h4-8H,3,9H2,1-2H3,(H3,16,17)
InChIKeyJDVKFHKWKXAHLN-UHFFFAOYSA-N
XLogP3.18
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.18
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

3-butoxy-5-methoxybenzenecarboximidamide
CID 103567679
3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567720
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774
3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 103567669
3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 103567747
3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 103567791
3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide
CID 103567659
3-[(5-chlorothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567558
1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107558294
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
CID 107892959

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide (CID 103567773) is 3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(OC)cc(OCc2ccc(CC)s2)c1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide?
The InChIKey is JDVKFHKWKXAHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-13-4-5-14(20-13)9-19-12-7-10(15(16)17)6-11(8-12)18-2/h4-8H,3,9H2,1-2H3,(H3,16,17).
What are the key properties of 3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide?
3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide has a molecular weight of 290.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide is sourced from PubChem (CID 103567773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).