N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine

C11H16BrNO3 — CID 117468655

IUPACN-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
SMILESCCc1c(CNO)cc(OC)c(OC)c1Br
InChIInChI=1S/C11H16BrNO3/c1-4-8-7(6-13-14)5-9(15-2)11(16-3)10(8)12/h5,13-14H,4,6H2,1-3H3
InChIKeyLXXCSHQBQHVDRD-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.51
Rot. Bonds5

About N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine

N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine (PubChem CID 117468655) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
PubChem CID117468655
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC NameN-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
SMILESCCc1c(CNO)cc(OC)c(OC)c1Br
InChIInChI=1S/C11H16BrNO3/c1-4-8-7(6-13-14)5-9(15-2)11(16-3)10(8)12/h5,13-14H,4,6H2,1-3H3
InChIKeyLXXCSHQBQHVDRD-UHFFFAOYSA-N
XLogP2.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
(2-bromo-3-ethyl-5,6-dimethoxyphenyl)methanol
CID 84714156
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363
N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 84803061
5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
CID 117372651
1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014
N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656
N-[(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117464987
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 82685518
1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117489365
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine (CID 117468655) is N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine is CCc1c(CNO)cc(OC)c(OC)c1Br.
What is the InChIKey of N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine?
The InChIKey is LXXCSHQBQHVDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-4-8-7(6-13-14)5-9(15-2)11(16-3)10(8)12/h5,13-14H,4,6H2,1-3H3.
What are the key properties of N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine?
N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine has a molecular weight of 290.16 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117468655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).