2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide

C17H19BrN2O — CID 107279485

IUPAC2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2C(C)CC)cc1Br
InChIInChI=1S/C17H19BrN2O/c1-3-11(2)13-6-4-5-7-16(13)21-12-8-9-14(17(19)20)15(18)10-12/h4-11H,3H2,1-2H3,(H3,19,20)
InChIKeyUAQFFPLTUMCDQK-UHFFFAOYSA-N
MW347.26 g/mol
LogP5.04
Rot. Bonds5

About 2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide

2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide (PubChem CID 107279485) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide
PubChem CID107279485
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2C(C)CC)cc1Br
InChIInChI=1S/C17H19BrN2O/c1-3-11(2)13-6-4-5-7-16(13)21-12-8-9-14(17(19)20)15(18)10-12/h4-11H,3H2,1-2H3,(H3,19,20)
InChIKeyUAQFFPLTUMCDQK-UHFFFAOYSA-N
XLogP5.04
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.26
LogP ≤ 55.04
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-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712613
2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide
CID 107279513
2-amino-5-(2-butan-2-ylphenoxy)benzamide
CID 61305596
2-bromo-6-(4-butan-2-ylphenoxy)benzenecarboximidamide
CID 107665095
2-bromo-4-quinolin-5-yloxybenzenecarboximidamide
CID 107279689
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
2-bromo-4-heptoxybenzenecarboximidamide
CID 107279546
2-bromo-4-octoxybenzenecarboximidamide
CID 107279553
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
CID 107279532
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide (CID 107279485) is 2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccccc2C(C)CC)cc1Br.
What is the InChIKey of 2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide?
The InChIKey is UAQFFPLTUMCDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-11(2)13-6-4-5-7-16(13)21-12-8-9-14(17(19)20)15(18)10-12/h4-11H,3H2,1-2H3,(H3,19,20).
What are the key properties of 2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide?
2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide has a molecular weight of 347.26 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 107279485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).