N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide

C11H15BrN2O — CID 90717937

IUPACN'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide
SMILESC/C(N)=N\C(C)(C)c1cc(Br)ccc1O
InChIInChI=1S/C11H15BrN2O/c1-7(13)14-11(2,3)9-6-8(12)4-5-10(9)15/h4-6,15H,1-3H3,(H2,13,14)
InChIKeyVVJFUZPUHFXEGZ-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.77
Rot. Bonds2

About N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide

N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide (PubChem CID 90717937) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide
PubChem CID90717937
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide
SMILESC/C(N)=N\C(C)(C)c1cc(Br)ccc1O
InChIInChI=1S/C11H15BrN2O/c1-7(13)14-11(2,3)9-6-8(12)4-5-10(9)15/h4-6,15H,1-3H3,(H2,13,14)
InChIKeyVVJFUZPUHFXEGZ-UHFFFAOYSA-N
XLogP2.77
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide?
The IUPAC name of N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide (CID 90717937) is N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide.
What is the SMILES notation for N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide?
The canonical SMILES for N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide is C/C(N)=N\C(C)(C)c1cc(Br)ccc1O.
What is the InChIKey of N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide?
The InChIKey is VVJFUZPUHFXEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7(13)14-11(2,3)9-6-8(12)4-5-10(9)15/h4-6,15H,1-3H3,(H2,13,14).
What are the key properties of N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide?
N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide has a molecular weight of 271.16 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-bromo-2-hydroxyphenyl)propan-2-yl]ethanimidamide is sourced from PubChem (CID 90717937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).