4-[benzyl(methoxy)amino]-3-methylphenol

C15H17NO2 — CID 88717281

IUPAC4-[benzyl(methoxy)amino]-3-methylphenol
SMILESCON(Cc1ccccc1)c1ccc(O)cc1C
InChIInChI=1S/C15H17NO2/c1-12-10-14(17)8-9-15(12)16(18-2)11-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3
InChIKeyUANSWEDRQLFIRM-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.27
Rot. Bonds4

About 4-[benzyl(methoxy)amino]-3-methylphenol

4-[benzyl(methoxy)amino]-3-methylphenol (PubChem CID 88717281) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[benzyl(methoxy)amino]-3-methylphenol.

Molecular Properties

Compound Name4-[benzyl(methoxy)amino]-3-methylphenol
PubChem CID88717281
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[benzyl(methoxy)amino]-3-methylphenol
SMILESCON(Cc1ccccc1)c1ccc(O)cc1C
InChIInChI=1S/C15H17NO2/c1-12-10-14(17)8-9-15(12)16(18-2)11-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3
InChIKeyUANSWEDRQLFIRM-UHFFFAOYSA-N
XLogP3.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methoxy)amino]-3-methylphenol?
The IUPAC name of 4-[benzyl(methoxy)amino]-3-methylphenol (CID 88717281) is 4-[benzyl(methoxy)amino]-3-methylphenol.
What is the SMILES notation for 4-[benzyl(methoxy)amino]-3-methylphenol?
The canonical SMILES for 4-[benzyl(methoxy)amino]-3-methylphenol is CON(Cc1ccccc1)c1ccc(O)cc1C.
What is the InChIKey of 4-[benzyl(methoxy)amino]-3-methylphenol?
The InChIKey is UANSWEDRQLFIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-12-10-14(17)8-9-15(12)16(18-2)11-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3.
What are the key properties of 4-[benzyl(methoxy)amino]-3-methylphenol?
4-[benzyl(methoxy)amino]-3-methylphenol has a molecular weight of 243.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methoxy)amino]-3-methylphenol is sourced from PubChem (CID 88717281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).