O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine

C12H15BrN2O — CID 117196322

IUPACO-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
SMILESCC(C)n1cc(CON)c2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2O/c1-8(2)15-6-9(7-16-14)11-4-3-10(13)5-12(11)15/h3-6,8H,7,14H2,1-2H3
InChIKeyUDPZCYUQOLSUPZ-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.38
Rot. Bonds3

About O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine

O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine (PubChem CID 117196322) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
PubChem CID117196322
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameO-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
SMILESCC(C)n1cc(CON)c2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2O/c1-8(2)15-6-9(7-16-14)11-4-3-10(13)5-12(11)15/h3-6,8H,7,14H2,1-2H3
InChIKeyUDPZCYUQOLSUPZ-UHFFFAOYSA-N
XLogP3.38
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine (CID 117196322) is O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine is CC(C)n1cc(CON)c2ccc(Br)cc21.
What is the InChIKey of O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine?
The InChIKey is UDPZCYUQOLSUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8(2)15-6-9(7-16-14)11-4-3-10(13)5-12(11)15/h3-6,8H,7,14H2,1-2H3.
What are the key properties of O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine?
O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine has a molecular weight of 283.17 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 117196322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).