2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide

C16H18N2O — CID 107110587

IUPAC2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1ccc(CC)cc1
InChIInChI=1S/C16H18N2O/c1-3-12-7-9-13(10-8-12)19-15-11(2)5-4-6-14(15)16(17)18/h4-10H,3H2,1-2H3,(H3,17,18)
InChIKeySHZBBHDIAFZOKG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.63
Rot. Bonds4

About 2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide

2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide (PubChem CID 107110587) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
PubChem CID107110587
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1ccc(CC)cc1
InChIInChI=1S/C16H18N2O/c1-3-12-7-9-13(10-8-12)19-15-11(2)5-4-6-14(15)16(17)18/h4-10H,3H2,1-2H3,(H3,17,18)
InChIKeySHZBBHDIAFZOKG-UHFFFAOYSA-N
XLogP3.63
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
2-(4-ethylphenoxy)-3-methylbenzenecarbothioamide
CID 107108780
2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110642
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
2-butoxy-3-methylbenzenecarboximidamide
CID 107110644
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide
CID 107743296
3-methyl-2-quinolin-3-yloxybenzenecarboximidamide
CID 107387226
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107109785
3-amino-2-(4-ethylphenoxy)benzamide
CID 112579580
2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
CID 81276494
ethyl 3-methyl-2-pyridin-4-yloxybenzoate
CID 140570750

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide (CID 107110587) is 2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1Oc1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide?
The InChIKey is SHZBBHDIAFZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12-7-9-13(10-8-12)19-15-11(2)5-4-6-14(15)16(17)18/h4-10H,3H2,1-2H3,(H3,17,18).
What are the key properties of 2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide?
2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide has a molecular weight of 254.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).