N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine

C14H14BrNO2 — CID 117493046

IUPACN-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
SMILESONCc1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C14H14BrNO2/c15-13-8-12(9-16-17)6-7-14(13)18-10-11-4-2-1-3-5-11/h1-8,16-17H,9-10H2
InChIKeyWHTBZZQRCQZWRS-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.51
Rot. Bonds5

About N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine

N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine (PubChem CID 117493046) has the molecular formula C14H14BrNO2 and a molecular weight of 308.17 g/mol. Its IUPAC name is N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
PubChem CID117493046
Molecular FormulaC14H14BrNO2
Molecular Weight308.17 g/mol
Exact Mass307.02
IUPAC NameN-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
SMILESONCc1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C14H14BrNO2/c15-13-8-12(9-16-17)6-7-14(13)18-10-11-4-2-1-3-5-11/h1-8,16-17H,9-10H2
InChIKeyWHTBZZQRCQZWRS-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 17156869
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]ethanol
CID 17157109
4-[[(3-bromo-4-phenylmethoxyphenyl)methylamino]methyl]benzoic acid
CID 17158211
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17157143
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17158503
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]pentan-1-amine
CID 17157671
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]pentan-1-amine;hydrochloride
CID 17157670
N'-[(3-bromo-4-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215801
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 78870232
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209158
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine (CID 117493046) is N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine is ONCc1ccc(OCc2ccccc2)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine?
The InChIKey is WHTBZZQRCQZWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c15-13-8-12(9-16-17)6-7-14(13)18-10-11-4-2-1-3-5-11/h1-8,16-17H,9-10H2.
What are the key properties of N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine?
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine has a molecular weight of 308.17 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117493046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).