N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine

C11H14BrNO2 — CID 59724543

IUPACN-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
SMILESONCc1cccc(Br)c1OCC1CC1
InChIInChI=1S/C11H14BrNO2/c12-10-3-1-2-9(6-13-14)11(10)15-7-8-4-5-8/h1-3,8,13-14H,4-7H2
InChIKeyCXRDZXXIUYIJPC-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.72
Rot. Bonds5

About N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine

N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine (PubChem CID 59724543) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
PubChem CID59724543
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
SMILESONCc1cccc(Br)c1OCC1CC1
InChIInChI=1S/C11H14BrNO2/c12-10-3-1-2-9(6-13-14)11(10)15-7-8-4-5-8/h1-3,8,13-14H,4-7H2
InChIKeyCXRDZXXIUYIJPC-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]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

2-[3-bromo-2-(cyclopropylmethoxy)phenyl]acetic acid
CID 117458880
N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine;N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxy-2-oxoethanimine oxide;methane;methyl 2-oxoacetate
CID 162057313
3-[3-bromo-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117481659
1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
CID 59382984
N-[[3-bromo-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 62385283
1-[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 61390168
N-[[3-bromo-2-(oxan-4-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63059411
N-[[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 61390366
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
CID 61390308
1-[3-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 103133008
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 43560143
N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine
CID 117316662

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine (CID 59724543) is N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine is ONCc1cccc(Br)c1OCC1CC1.
What is the InChIKey of N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine?
The InChIKey is CXRDZXXIUYIJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-10-3-1-2-9(6-13-14)11(10)15-7-8-4-5-8/h1-3,8,13-14H,4-7H2.
What are the key properties of N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine?
N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine has a molecular weight of 272.14 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 59724543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).