N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine

C10H12Cl2NO3- — CID 163640824

IUPACN-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine
SMILESCOC(c1ccc(Cl)cc1Cl)C(C)N([O-])O
InChIInChI=1S/C10H12Cl2NO3/c1-6(13(14)15)10(16-2)8-4-3-7(11)5-9(8)12/h3-6,10,14H,1-2H3/q-1
InChIKeyOCLWRXCNTCMIGA-UHFFFAOYSA-N
MW265.12 g/mol
LogP3.26
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine

N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine (PubChem CID 163640824) has the molecular formula C10H12Cl2NO3- and a molecular weight of 265.12 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine
PubChem CID163640824
Molecular FormulaC10H12Cl2NO3-
Molecular Weight265.12 g/mol
Exact Mass264.02
IUPAC NameN-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine
SMILESCOC(c1ccc(Cl)cc1Cl)C(C)N([O-])O
InChIInChI=1S/C10H12Cl2NO3/c1-6(13(14)15)10(16-2)8-4-3-7(11)5-9(8)12/h3-6,10,14H,1-2H3/q-1
InChIKeyOCLWRXCNTCMIGA-UHFFFAOYSA-N
XLogP3.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol
CID 54028820
methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate
CID 605155
1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
CID 116961551
methyl (2,4-dichlorophenyl)-methoxymethanesulfinate
CID 10858513
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
(2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide
CID 162609725
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
2,4-dichloro-1-(1-isocyanoethyl)benzene
CID 3974508
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine (CID 163640824) is N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine is COC(c1ccc(Cl)cc1Cl)C(C)N([O-])O.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine?
The InChIKey is OCLWRXCNTCMIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2NO3/c1-6(13(14)15)10(16-2)8-4-3-7(11)5-9(8)12/h3-6,10,14H,1-2H3/q-1.
What are the key properties of N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine?
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine has a molecular weight of 265.12 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine is sourced from PubChem (CID 163640824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).