4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide

C16H18N2O3 — CID 61299239

IUPAC4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOc2cccc(OC)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-19-14-3-2-4-15(11-14)21-10-9-20-13-7-5-12(6-8-13)16(17)18/h2-8,11H,9-10H2,1H3,(H3,17,18)
InChIKeyOSVPJNSEKQBDFF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.44
Rot. Bonds7

About 4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide

4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide (PubChem CID 61299239) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
PubChem CID61299239
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOc2cccc(OC)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-19-14-3-2-4-15(11-14)21-10-9-20-13-7-5-12(6-8-13)16(17)18/h2-8,11H,9-10H2,1H3,(H3,17,18)
InChIKeyOSVPJNSEKQBDFF-UHFFFAOYSA-N
XLogP2.44
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[2-(2-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61300207
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
4-butoxybenzenecarboximidamide
CID 3015454
4-[2-(3,4-dichlorophenoxy)ethoxy]benzenecarboximidamide
CID 61301174
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide
CID 81264863
4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide
CID 61299043
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794906
3-butoxy-5-methoxybenzenecarboximidamide
CID 103567679
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide (CID 61299239) is 4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCOc2cccc(OC)c2)cc1.
What is the InChIKey of 4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide?
The InChIKey is OSVPJNSEKQBDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-19-14-3-2-4-15(11-14)21-10-9-20-13-7-5-12(6-8-13)16(17)18/h2-8,11H,9-10H2,1H3,(H3,17,18).
What are the key properties of 4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide?
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide has a molecular weight of 286.33 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 61299239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).