O-(3-amino-1-phenylpropyl)hydroxylamine

C9H14N2O — CID 58171394

IUPACO-(3-amino-1-phenylpropyl)hydroxylamine
SMILESNCCC(ON)c1ccccc1
InChIInChI=1S/C9H14N2O/c10-7-6-9(12-11)8-4-2-1-3-5-8/h1-5,9H,6-7,10-11H2
InChIKeyAFHOWYBIYKTHMG-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.97
Rot. Bonds4

About O-(3-amino-1-phenylpropyl)hydroxylamine

O-(3-amino-1-phenylpropyl)hydroxylamine (PubChem CID 58171394) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is O-(3-amino-1-phenylpropyl)hydroxylamine.

Molecular Properties

Compound NameO-(3-amino-1-phenylpropyl)hydroxylamine
PubChem CID58171394
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameO-(3-amino-1-phenylpropyl)hydroxylamine
SMILESNCCC(ON)c1ccccc1
InChIInChI=1S/C9H14N2O/c10-7-6-9(12-11)8-4-2-1-3-5-8/h1-5,9H,6-7,10-11H2
InChIKeyAFHOWYBIYKTHMG-UHFFFAOYSA-N
XLogP0.97
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
3-butoxy-3-phenylpropan-1-amine
CID 114998461
O-(2-methoxy-1-phenylethyl)hydroxylamine
CID 14103730
3-cyclopentyloxy-3-phenylpropan-1-amine
CID 115001323
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883
3-cyclohexyloxy-3-phenylpropan-1-amine
CID 115002872
3-(4-ethylphenoxy)-3-phenylpropan-1-amine
CID 112501685
3,3-diphenylpropan-1-amine;hydron;chloride
CID 74764483
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
2-phenylbutane-1,4-diamine
CID 16770348
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
3-(2-amino-1-phenylethoxy)propan-1-amine
CID 70040020

Frequently Asked Questions

What is the IUPAC name of O-(3-amino-1-phenylpropyl)hydroxylamine?
The IUPAC name of O-(3-amino-1-phenylpropyl)hydroxylamine (CID 58171394) is O-(3-amino-1-phenylpropyl)hydroxylamine.
What is the SMILES notation for O-(3-amino-1-phenylpropyl)hydroxylamine?
The canonical SMILES for O-(3-amino-1-phenylpropyl)hydroxylamine is NCCC(ON)c1ccccc1.
What is the InChIKey of O-(3-amino-1-phenylpropyl)hydroxylamine?
The InChIKey is AFHOWYBIYKTHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-7-6-9(12-11)8-4-2-1-3-5-8/h1-5,9H,6-7,10-11H2.
What are the key properties of O-(3-amino-1-phenylpropyl)hydroxylamine?
O-(3-amino-1-phenylpropyl)hydroxylamine has a molecular weight of 166.22 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-amino-1-phenylpropyl)hydroxylamine is sourced from PubChem (CID 58171394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).