N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine

C9H14N2O2 — CID 141409556

IUPACN-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine
SMILESCC(Cc1ccccc1)(NO)NO
InChIInChI=1S/C9H14N2O2/c1-9(10-12,11-13)7-8-5-3-2-4-6-8/h2-6,10-13H,7H2,1H3
InChIKeyJUVQOWHVZVJKKD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.90
Rot. Bonds4

About N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine

N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine (PubChem CID 141409556) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine
PubChem CID141409556
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine
SMILESCC(Cc1ccccc1)(NO)NO
InChIInChI=1S/C9H14N2O2/c1-9(10-12,11-13)7-8-5-3-2-4-6-8/h2-6,10-13H,7H2,1H3
InChIKeyJUVQOWHVZVJKKD-UHFFFAOYSA-N
XLogP0.90
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
2,2-dimethylpropylbenzene;methanol
CID 157125736
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2-dimethylsilyl-2-methyl-3-phenylpropanoic acid
CID 150192897
[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 66796999
(2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene
CID 140921791
(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride
CID 110174053
(2-ethyl-2-methylbutyl)benzene
CID 123641908
2-chloro-2-methyl-3-phenylpropan-1-ol
CID 130128732
[(E)-2,2-dimethylpent-3-enyl]benzene
CID 10487473
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
(E)-4,4-dimethyl-5-phenylpent-2-enoic acid
CID 22261491

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine?
The IUPAC name of N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine (CID 141409556) is N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine.
What is the SMILES notation for N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine?
The canonical SMILES for N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine is CC(Cc1ccccc1)(NO)NO.
What is the InChIKey of N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine?
The InChIKey is JUVQOWHVZVJKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(10-12,11-13)7-8-5-3-2-4-6-8/h2-6,10-13H,7H2,1H3.
What are the key properties of N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine?
N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine has a molecular weight of 182.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine is sourced from PubChem (CID 141409556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).