O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine

C15H18N2O2 — CID 163596213

IUPACO-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine
SMILESCC(C)(c1cccc(ON)c1)c1cccc(ON)c1
InChIInChI=1S/C15H18N2O2/c1-15(2,11-5-3-7-13(9-11)18-16)12-6-4-8-14(10-12)19-17/h3-10H,16-17H2,1-2H3
InChIKeyGTQLPQCBZXQGAR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.52
Rot. Bonds4

About O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine

O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine (PubChem CID 163596213) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine
PubChem CID163596213
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameO-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine
SMILESCC(C)(c1cccc(ON)c1)c1cccc(ON)c1
InChIInChI=1S/C15H18N2O2/c1-15(2,11-5-3-7-13(9-11)18-16)12-6-4-8-14(10-12)19-17/h3-10H,16-17H2,1-2H3
InChIKeyGTQLPQCBZXQGAR-UHFFFAOYSA-N
XLogP2.52
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-(3-aminooxyphenyl)hydroxylamine
CID 118013291
O-[4-[2-(4-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine
CID 67933990
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone
CID 22415190
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene
CID 58250422
2-[3-[(2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 146264019
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594

Frequently Asked Questions

What is the IUPAC name of O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine?
The IUPAC name of O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine (CID 163596213) is O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine.
What is the SMILES notation for O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine?
The canonical SMILES for O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine is CC(C)(c1cccc(ON)c1)c1cccc(ON)c1.
What is the InChIKey of O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine?
The InChIKey is GTQLPQCBZXQGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,11-5-3-7-13(9-11)18-16)12-6-4-8-14(10-12)19-17/h3-10H,16-17H2,1-2H3.
What are the key properties of O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine?
O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine has a molecular weight of 258.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[2-(3-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine is sourced from PubChem (CID 163596213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).