O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine

C11H14BrNO — CID 117393277

IUPACO-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine
SMILESC=C(C)c1cc(Br)cc(CCON)c1
InChIInChI=1S/C11H14BrNO/c1-8(2)10-5-9(3-4-14-13)6-11(12)7-10/h5-7H,1,3-4,13H2,2H3
InChIKeyVATINLNLVUEWJO-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.91
Rot. Bonds4

About O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine

O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine (PubChem CID 117393277) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine
PubChem CID117393277
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameO-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine
SMILESC=C(C)c1cc(Br)cc(CCON)c1
InChIInChI=1S/C11H14BrNO/c1-8(2)10-5-9(3-4-14-13)6-11(12)7-10/h5-7H,1,3-4,13H2,2H3
InChIKeyVATINLNLVUEWJO-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol
CID 117354295
3-(3-bromo-5-prop-1-en-2-ylphenyl)propanal
CID 117385056
1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine
CID 117393283
O-[2-(4-bromophenyl)ethyl]hydroxylamine
CID 83486185
1-bromo-3-tert-butyl-5-prop-1-en-2-ylbenzene
CID 86719126
N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 18509445
ethyl 3-bromo-5-(3-oxopropyl)benzoate
CID 134632899
3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine
CID 117299694
1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine
CID 117449594
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate
CID 162070646
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine (CID 117393277) is O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine is C=C(C)c1cc(Br)cc(CCON)c1.
What is the InChIKey of O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine?
The InChIKey is VATINLNLVUEWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8(2)10-5-9(3-4-14-13)6-11(12)7-10/h5-7H,1,3-4,13H2,2H3.
What are the key properties of O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine?
O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine has a molecular weight of 256.14 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117393277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).