N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine

C8H10BrNO — CID 54220149

IUPACN-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(Br)ccc1CNO
InChIInChI=1S/C8H10BrNO/c1-6-4-8(9)3-2-7(6)5-10-11/h2-4,10-11H,5H2,1H3
InChIKeyQBZRPYWFHYDPDH-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.24
Rot. Bonds2

About N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine

N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine (PubChem CID 54220149) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
PubChem CID54220149
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC NameN-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(Br)ccc1CNO
InChIInChI=1S/C8H10BrNO/c1-6-4-8(9)3-2-7(6)5-10-11/h2-4,10-11H,5H2,1H3
InChIKeyQBZRPYWFHYDPDH-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine
CID 84796697
1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine
CID 60984036
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
CID 110004740
2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 86798561
N-[(4-bromo-2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 115694878
4-bromo-1-(2-iodoethyl)-2-methylbenzene
CID 66577923
1-[(4-bromo-2-methylphenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111782785
2-[(4-bromo-2-methylphenyl)methylamino]pentanoic acid
CID 120509500

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine (CID 54220149) is N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine is Cc1cc(Br)ccc1CNO.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine?
The InChIKey is QBZRPYWFHYDPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-6-4-8(9)3-2-7(6)5-10-11/h2-4,10-11H,5H2,1H3.
What are the key properties of N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine?
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine has a molecular weight of 216.08 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 54220149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).