N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine

C13H15BrClNO2 — CID 113471027

IUPACN-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine
SMILESON=C1CCC(OCc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C13H15BrClNO2/c14-10-2-1-9(13(15)7-10)8-18-12-5-3-11(16-17)4-6-12/h1-2,7,12,17H,3-6,8H2/b16-11-
InChIKeyCHQYBOKDFSGHNE-WJDWOHSUSA-N
MW332.63 g/mol
LogP4.39
Rot. Bonds3

About N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine

N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine (PubChem CID 113471027) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine
PubChem CID113471027
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC NameN-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine
SMILESON=C1CCC(OCc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C13H15BrClNO2/c14-10-2-1-9(13(15)7-10)8-18-12-5-3-11(16-17)4-6-12/h1-2,7,12,17H,3-6,8H2/b16-11-
InChIKeyCHQYBOKDFSGHNE-WJDWOHSUSA-N
XLogP4.39
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]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

4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexane-1-carboxylic acid
CID 114451377
3-[(4-bromo-2-chlorophenyl)methoxy]oxetane
CID 102607207
N'-[(4-bromo-2-chlorophenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111959257
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine
CID 62807216
4-[(4-bromo-2-nitrophenyl)methoxy]cyclohexan-1-ol
CID 114381847
1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823811
(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
CID 66245197
2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
CID 60624704
4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene
CID 113471414
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667619

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine?
The IUPAC name of N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine (CID 113471027) is N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine?
The canonical SMILES for N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine is ON=C1CCC(OCc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine?
The InChIKey is CHQYBOKDFSGHNE-WJDWOHSUSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-10-2-1-9(13(15)7-10)8-18-12-5-3-11(16-17)4-6-12/h1-2,7,12,17H,3-6,8H2/b16-11-.
What are the key properties of N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine?
N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine has a molecular weight of 332.63 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine is sourced from PubChem (CID 113471027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).