N-(1-phenylethyl)hydroxylamine

C8H11NO — CID 11126318

IUPACN-(1-phenylethyl)hydroxylamine
SMILESCC(NO)c1ccccc1
InChIInChI=1S/C8H11NO/c1-7(9-10)8-5-3-2-4-6-8/h2-7,9-10H,1H3
InChIKeyRRJRFNUPXQLYHX-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.73
Rot. Bonds2

About N-(1-phenylethyl)hydroxylamine

N-(1-phenylethyl)hydroxylamine (PubChem CID 11126318) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-(1-phenylethyl)hydroxylamine.

Molecular Properties

Compound NameN-(1-phenylethyl)hydroxylamine
PubChem CID11126318
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-(1-phenylethyl)hydroxylamine
SMILESCC(NO)c1ccccc1
InChIInChI=1S/C8H11NO/c1-7(9-10)8-5-3-2-4-6-8/h2-7,9-10H,1H3
InChIKeyRRJRFNUPXQLYHX-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-(1-phenylethyl)hydroxylamine?
The IUPAC name of N-(1-phenylethyl)hydroxylamine (CID 11126318) is N-(1-phenylethyl)hydroxylamine.
What is the SMILES notation for N-(1-phenylethyl)hydroxylamine?
The canonical SMILES for N-(1-phenylethyl)hydroxylamine is CC(NO)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)hydroxylamine?
The InChIKey is RRJRFNUPXQLYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7(9-10)8-5-3-2-4-6-8/h2-7,9-10H,1H3.
What are the key properties of N-(1-phenylethyl)hydroxylamine?
N-(1-phenylethyl)hydroxylamine has a molecular weight of 137.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)hydroxylamine is sourced from PubChem (CID 11126318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).