2-ethoxy-5-phenylbenzenecarboximidamide

C15H16N2O — CID 83969112

IUPAC2-ethoxy-5-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)ccc1OCC
InChIInChI=1S/C15H16N2O/c1-2-18-14-9-8-12(10-13(14)15(16)17)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,16,17)
InChIKeyMJIIHYQESMWLEP-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.04
Rot. Bonds4

About 2-ethoxy-5-phenylbenzenecarboximidamide

2-ethoxy-5-phenylbenzenecarboximidamide (PubChem CID 83969112) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-ethoxy-5-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name2-ethoxy-5-phenylbenzenecarboximidamide
PubChem CID83969112
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-ethoxy-5-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)ccc1OCC
InChIInChI=1S/C15H16N2O/c1-2-18-14-9-8-12(10-13(14)15(16)17)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,16,17)
InChIKeyMJIIHYQESMWLEP-UHFFFAOYSA-N
XLogP3.04
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.04
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-ethoxy-5-phenylphenyl)thiourea
CID 169357905
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
2-(2-methoxy-5-phenylphenyl)ethanimidamide
CID 91757147
4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
CID 63092515
ethane;4-phenylbenzenecarboximidamide
CID 91221015
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
2-[2-acetyloxyethyl-(3-carbamimidoyl-4-ethoxyphenyl)sulfonylamino]ethyl acetate
CID 143461911
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
2-prop-2-enoxybenzenecarboximidamide;hydrochloride
CID 22462384
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-phenylbenzenecarboximidamide?
The IUPAC name of 2-ethoxy-5-phenylbenzenecarboximidamide (CID 83969112) is 2-ethoxy-5-phenylbenzenecarboximidamide.
What is the SMILES notation for 2-ethoxy-5-phenylbenzenecarboximidamide?
The canonical SMILES for 2-ethoxy-5-phenylbenzenecarboximidamide is [H]/N=C(\N)c1cc(-c2ccccc2)ccc1OCC.
What is the InChIKey of 2-ethoxy-5-phenylbenzenecarboximidamide?
The InChIKey is MJIIHYQESMWLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-18-14-9-8-12(10-13(14)15(16)17)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,16,17).
What are the key properties of 2-ethoxy-5-phenylbenzenecarboximidamide?
2-ethoxy-5-phenylbenzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-phenylbenzenecarboximidamide is sourced from PubChem (CID 83969112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).