N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine

C8H8BrNO — CID 86694674

IUPACN-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine
SMILESCc1ccc(C=NO)cc1Br
InChIInChI=1S/C8H8BrNO/c1-6-2-3-7(5-10-11)4-8(6)9/h2-5,11H,1H3
InChIKeyFIVJQJATPMVMFT-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.57
Rot. Bonds1

About N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine

N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine (PubChem CID 86694674) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine
PubChem CID86694674
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC NameN-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine
SMILESCc1ccc(C=NO)cc1Br
InChIInChI=1S/C8H8BrNO/c1-6-2-3-7(5-10-11)4-8(6)9/h2-5,11H,1H3
InChIKeyFIVJQJATPMVMFT-UHFFFAOYSA-N
XLogP2.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681880
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088
N-[[3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680573
4-(hydroxyiminomethyl)-2-methylbenzamide
CID 163209734
(1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride
CID 106892138
2-[2-bromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268263
(NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine
CID 144840727
(NE)-N-[(3-methyl-4-nitrophenyl)methylidene]hydroxylamine
CID 59034617
N-[[3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993090
N-[[3-bromo-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20985545
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
(1S,2R,6S,7R)-4-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 11905647

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine (CID 86694674) is N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine is Cc1ccc(C=NO)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine?
The InChIKey is FIVJQJATPMVMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-6-2-3-7(5-10-11)4-8(6)9/h2-5,11H,1H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine?
N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine has a molecular weight of 214.06 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 86694674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).