N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine

C13H21NO3 — CID 117351391

IUPACN-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C13H21NO3/c1-13(2,3)11-7-10(16-4)6-9(8-14-15)12(11)17-5/h6-7,14-15H,8H2,1-5H3
InChIKeyRXFCUPAVQZJWRG-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.48
Rot. Bonds4

About N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine

N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine (PubChem CID 117351391) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine
PubChem CID117351391
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C13H21NO3/c1-13(2,3)11-7-10(16-4)6-9(8-14-15)12(11)17-5/h6-7,14-15H,8H2,1-5H3
InChIKeyRXFCUPAVQZJWRG-UHFFFAOYSA-N
XLogP2.48
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine
CID 117465362
N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407158
(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane
CID 139965190
2-amino-3-(3-tert-butyl-2,5-dimethoxyphenyl)propanoic acid
CID 117451563
2-tert-butyl-4-methoxy-6-[(methoxyamino)methyl]phenol
CID 117351450
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
CID 112513655
2-chloro-6-[(hydroxyamino)methyl]-4-methoxyphenol
CID 117292196
2,6-ditert-butyl-4-methoxyphenol
CID 10269
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
1-tert-butyl-2,5-dimethoxy-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]benzene
CID 139965018
N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
CID 96678019
2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol
CID 117347697

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine (CID 117351391) is N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine is COc1cc(CNO)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine?
The InChIKey is RXFCUPAVQZJWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,3)11-7-10(16-4)6-9(8-14-15)12(11)17-5/h6-7,14-15H,8H2,1-5H3.
What are the key properties of N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine?
N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine has a molecular weight of 239.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117351391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).