3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide

C11H15BrN2O — CID 43368818

IUPAC3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccc(C)cc1Br
InChIInChI=1S/C11H15BrN2O/c1-7-3-4-10(9(12)5-7)15-6-8(2)11(13)14/h3-5,8H,6H2,1-2H3,(H3,13,14)
InChIKeyYPCFRDWQNSXWDI-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.71
Rot. Bonds4

About 3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide

3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide (PubChem CID 43368818) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide
PubChem CID43368818
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccc(C)cc1Br
InChIInChI=1S/C11H15BrN2O/c1-7-3-4-10(9(12)5-7)15-6-8(2)11(13)14/h3-5,8H,6H2,1-2H3,(H3,13,14)
InChIKeyYPCFRDWQNSXWDI-UHFFFAOYSA-N
XLogP2.71
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.71
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

3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide
CID 115002336
3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368455
2-methyl-3-(4-methylphenoxy)propanimidamide
CID 43368572
(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
CID 28602583
2-bromo-1-(3-bromo-2-methylpropoxy)-4-methylbenzene
CID 64996070
methyl 2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]propanoate
CID 61499795
(2S)-1-(2-bromo-4-methylphenoxy)-3-ethoxypropan-2-ol
CID 129402931
3-(2-bromo-4-methylphenoxy)propanethioamide
CID 28602618
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79250467
2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide
CID 114266444
2-methyl-3-(4-propoxyphenoxy)propanimidamide
CID 43175340
3-bromo-4-(4-methylpentoxy)benzenecarboximidamide
CID 82799328

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide?
The IUPAC name of 3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide (CID 43368818) is 3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide.
What is the SMILES notation for 3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide?
The canonical SMILES for 3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide is [H]/N=C(\N)C(C)COc1ccc(C)cc1Br.
What is the InChIKey of 3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide?
The InChIKey is YPCFRDWQNSXWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7-3-4-10(9(12)5-7)15-6-8(2)11(13)14/h3-5,8H,6H2,1-2H3,(H3,13,14).
What are the key properties of 3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide?
3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide has a molecular weight of 271.16 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide is sourced from PubChem (CID 43368818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).