2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide

C16H18N2O2 — CID 62307304

IUPAC2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1ccc(OCC)cc1
InChIInChI=1S/C16H18N2O2/c1-3-19-12-5-7-13(8-6-12)20-15-10-11(2)4-9-14(15)16(17)18/h4-10H,3H2,1-2H3,(H3,17,18)
InChIKeyONOOYTVEIMZFDF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide

2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide (PubChem CID 62307304) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
PubChem CID62307304
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1ccc(OCC)cc1
InChIInChI=1S/C16H18N2O2/c1-3-19-12-5-7-13(8-6-12)20-15-10-11(2)4-9-14(15)16(17)18/h4-10H,3H2,1-2H3,(H3,17,18)
InChIKeyONOOYTVEIMZFDF-UHFFFAOYSA-N
XLogP3.47
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.47
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

4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250746
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarboximidamide
CID 64601574
4-methoxy-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 81299836
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 81332379

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide (CID 62307304) is 2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Oc1ccc(OCC)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide?
The InChIKey is ONOOYTVEIMZFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-19-12-5-7-13(8-6-12)20-15-10-11(2)4-9-14(15)16(17)18/h4-10H,3H2,1-2H3,(H3,17,18).
What are the key properties of 2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide?
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide has a molecular weight of 270.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62307304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).