3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide

C14H16N2O2S — CID 103567669

IUPAC3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCCc2cccs2)c1
InChIInChI=1S/C14H16N2O2S/c1-17-11-7-10(14(15)16)8-12(9-11)18-5-4-13-3-2-6-19-13/h2-3,6-9H,4-5H2,1H3,(H3,15,16)
InChIKeyXBLZWOZIPIIEFC-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.66
Rot. Bonds6

About 3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide

3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide (PubChem CID 103567669) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide
PubChem CID103567669
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCCc2cccs2)c1
InChIInChI=1S/C14H16N2O2S/c1-17-11-7-10(14(15)16)8-12(9-11)18-5-4-13-3-2-6-19-13/h2-3,6-9H,4-5H2,1H3,(H3,15,16)
InChIKeyXBLZWOZIPIIEFC-UHFFFAOYSA-N
XLogP2.66
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.66
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-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 103567791
3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567773
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 81306221
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
CID 114769321
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774
3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 54966518
methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate
CID 21074228
3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567720
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 103567747

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
The IUPAC name of 3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide (CID 103567669) is 3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
The canonical SMILES for 3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(OC)cc(OCCc2cccs2)c1.
What is the InChIKey of 3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
The InChIKey is XBLZWOZIPIIEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-17-11-7-10(14(15)16)8-12(9-11)18-5-4-13-3-2-6-19-13/h2-3,6-9H,4-5H2,1H3,(H3,15,16).
What are the key properties of 3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide has a molecular weight of 276.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide is sourced from PubChem (CID 103567669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).