2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol

C13H21NO2 — CID 117320534

IUPAC2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(CNOC)c1
InChIInChI=1S/C13H21NO2/c1-5-13(2,3)11-6-7-12(15)10(8-11)9-14-16-4/h6-8,14-15H,5,9H2,1-4H3
InChIKeyMPJMEEXRUXNZJW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.73
Rot. Bonds5

About 2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol

2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol (PubChem CID 117320534) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol
PubChem CID117320534
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(CNOC)c1
InChIInChI=1S/C13H21NO2/c1-5-13(2,3)11-6-7-12(15)10(8-11)9-14-16-4/h6-8,14-15H,5,9H2,1-4H3
InChIKeyMPJMEEXRUXNZJW-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol (CID 117320534) is 2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1ccc(O)c(CNOC)c1.
What is the InChIKey of 2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol?
The InChIKey is MPJMEEXRUXNZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-13(2,3)11-6-7-12(15)10(8-11)9-14-16-4/h6-8,14-15H,5,9H2,1-4H3.
What are the key properties of 2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol?
2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol has a molecular weight of 223.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 117320534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).