3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide

C16H18N2O2 — CID 62336532

IUPAC3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2cccc(OCC)c2)c1
InChIInChI=1S/C16H18N2O2/c1-2-19-14-7-4-8-15(10-14)20-11-12-5-3-6-13(9-12)16(17)18/h3-10H,2,11H2,1H3,(H3,17,18)
InChIKeyYNHQZMFVVYOCTR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.95
Rot. Bonds6

About 3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide

3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide (PubChem CID 62336532) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
PubChem CID62336532
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2cccc(OCC)c2)c1
InChIInChI=1S/C16H18N2O2/c1-2-19-14-7-4-8-15(10-14)20-11-12-5-3-6-13(9-12)16(17)18/h3-10H,2,11H2,1H3,(H3,17,18)
InChIKeyYNHQZMFVVYOCTR-UHFFFAOYSA-N
XLogP2.95
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 82918831
3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107709017
3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602541
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400
2-(3-ethoxyphenyl)ethanimidamide
CID 4114058
3-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331398
3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide
CID 82253908
3-[(4-ethoxypyrazol-1-yl)methyl]benzenecarboximidamide
CID 114274034
3-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxymethyl]benzenecarboximidamide
CID 155560349
4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide
CID 73355195

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide?
The IUPAC name of 3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide (CID 62336532) is 3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2cccc(OCC)c2)c1.
What is the InChIKey of 3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide?
The InChIKey is YNHQZMFVVYOCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-19-14-7-4-8-15(10-14)20-11-12-5-3-6-13(9-12)16(17)18/h3-10H,2,11H2,1H3,(H3,17,18).
What are the key properties of 3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide?
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide has a molecular weight of 270.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 62336532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).