N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine

C9H12BrNO2 — CID 130061479

IUPACN-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(Br)cc1C(C)NO
InChIInChI=1S/C9H12BrNO2/c1-6(11-12)8-5-7(10)3-4-9(8)13-2/h3-6,11-12H,1-2H3
InChIKeyXCKQEPYLRLOUBI-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.50
Rot. Bonds3

About N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine

N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine (PubChem CID 130061479) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
PubChem CID130061479
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC NameN-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(Br)cc1C(C)NO
InChIInChI=1S/C9H12BrNO2/c1-6(11-12)8-5-7(10)3-4-9(8)13-2/h3-6,11-12H,1-2H3
InChIKeyXCKQEPYLRLOUBI-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
1-(5-bromo-2-methoxyphenyl)-1-chloro-N-methylmethanamine
CID 116962060
3-(5-bromo-2-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79129107
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine
CID 82089445
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127
methyl (2S)-2-(5-bromo-2-methoxyphenyl)-2-chloroacetate
CID 94376628
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
4-(5-bromo-2-methoxyphenyl)-4-(methylamino)butan-2-one
CID 116956001
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine (CID 130061479) is N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine is COc1ccc(Br)cc1C(C)NO.
What is the InChIKey of N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine?
The InChIKey is XCKQEPYLRLOUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-6(11-12)8-5-7(10)3-4-9(8)13-2/h3-6,11-12H,1-2H3.
What are the key properties of N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine?
N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine has a molecular weight of 246.10 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 130061479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).