4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol

C16H18FNO2 — CID 144784933

IUPAC4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol
SMILESCCc1c(O)cc(C)c(OCc2ccccc2N)c1F
InChIInChI=1S/C16H18FNO2/c1-3-12-14(19)8-10(2)16(15(12)17)20-9-11-6-4-5-7-13(11)18/h4-8,19H,3,9,18H2,1-2H3
InChIKeyUXJGAJQLKFJRAT-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.56
Rot. Bonds4

About 4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol

4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol (PubChem CID 144784933) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol.

Molecular Properties

Compound Name4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol
PubChem CID144784933
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol
SMILESCCc1c(O)cc(C)c(OCc2ccccc2N)c1F
InChIInChI=1S/C16H18FNO2/c1-3-12-14(19)8-10(2)16(15(12)17)20-9-11-6-4-5-7-13(11)18/h4-8,19H,3,9,18H2,1-2H3
InChIKeyUXJGAJQLKFJRAT-UHFFFAOYSA-N
XLogP3.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol?
The IUPAC name of 4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol (CID 144784933) is 4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol.
What is the SMILES notation for 4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol?
The canonical SMILES for 4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol is CCc1c(O)cc(C)c(OCc2ccccc2N)c1F.
What is the InChIKey of 4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol?
The InChIKey is UXJGAJQLKFJRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-3-12-14(19)8-10(2)16(15(12)17)20-9-11-6-4-5-7-13(11)18/h4-8,19H,3,9,18H2,1-2H3.
What are the key properties of 4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol?
4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol has a molecular weight of 275.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)methoxy]-2-ethyl-3-fluoro-5-methylphenol is sourced from PubChem (CID 144784933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).