O-(2-amino-1-phenylpropyl)hydroxylamine

C9H14N2O — CID 54305698

IUPACO-(2-amino-1-phenylpropyl)hydroxylamine
SMILESCC(N)C(ON)c1ccccc1
InChIInChI=1S/C9H14N2O/c1-7(10)9(12-11)8-5-3-2-4-6-8/h2-7,9H,10-11H2,1H3
InChIKeySHICJPUCWBPURS-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.97
Rot. Bonds3

About O-(2-amino-1-phenylpropyl)hydroxylamine

O-(2-amino-1-phenylpropyl)hydroxylamine (PubChem CID 54305698) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is O-(2-amino-1-phenylpropyl)hydroxylamine.

Molecular Properties

Compound NameO-(2-amino-1-phenylpropyl)hydroxylamine
PubChem CID54305698
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameO-(2-amino-1-phenylpropyl)hydroxylamine
SMILESCC(N)C(ON)c1ccccc1
InChIInChI=1S/C9H14N2O/c1-7(10)9(12-11)8-5-3-2-4-6-8/h2-7,9H,10-11H2,1H3
InChIKeySHICJPUCWBPURS-UHFFFAOYSA-N
XLogP0.97
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.97
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

[(1S)-2-amino-1-phenylpropyl] formate
CID 118541108
[(1S,2R)-2-amino-1-phenylpropyl] benzoate
CID 99718446
1-cyclohexyloxy-1-phenylpropan-2-amine
CID 55017556
1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
CID 107663944
1-(oxan-4-yloxy)-1-phenylpropan-2-amine
CID 55017189
ethane;(1R)-1-phenylethanamine
CID 142977390
(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
CID 12051472
(2S,3S)-3-methyl-4,4-diphenylbutan-2-amine
CID 59951948
1-bromo-1-phenylpropan-2-amine
CID 12709385
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
CID 83133006
1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine
CID 104706737

Frequently Asked Questions

What is the IUPAC name of O-(2-amino-1-phenylpropyl)hydroxylamine?
The IUPAC name of O-(2-amino-1-phenylpropyl)hydroxylamine (CID 54305698) is O-(2-amino-1-phenylpropyl)hydroxylamine.
What is the SMILES notation for O-(2-amino-1-phenylpropyl)hydroxylamine?
The canonical SMILES for O-(2-amino-1-phenylpropyl)hydroxylamine is CC(N)C(ON)c1ccccc1.
What is the InChIKey of O-(2-amino-1-phenylpropyl)hydroxylamine?
The InChIKey is SHICJPUCWBPURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(10)9(12-11)8-5-3-2-4-6-8/h2-7,9H,10-11H2,1H3.
What are the key properties of O-(2-amino-1-phenylpropyl)hydroxylamine?
O-(2-amino-1-phenylpropyl)hydroxylamine has a molecular weight of 166.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-amino-1-phenylpropyl)hydroxylamine is sourced from PubChem (CID 54305698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).