4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol

C15H17FN2O2 — CID 129110158

IUPAC4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol
SMILESCc1cc(O)ccc1OCc1c(F)cccc1N(C)N
InChIInChI=1S/C15H17FN2O2/c1-10-8-11(19)6-7-15(10)20-9-12-13(16)4-3-5-14(12)18(2)17/h3-8,19H,9,17H2,1-2H3
InChIKeyKFPUFQRPMXWMDQ-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.73
Rot. Bonds4

About 4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol

4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol (PubChem CID 129110158) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol.

Molecular Properties

Compound Name4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol
PubChem CID129110158
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol
SMILESCc1cc(O)ccc1OCc1c(F)cccc1N(C)N
InChIInChI=1S/C15H17FN2O2/c1-10-8-11(19)6-7-15(10)20-9-12-13(16)4-3-5-14(12)18(2)17/h3-8,19H,9,17H2,1-2H3
InChIKeyKFPUFQRPMXWMDQ-UHFFFAOYSA-N
XLogP2.73
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol?
The IUPAC name of 4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol (CID 129110158) is 4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol.
What is the SMILES notation for 4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol?
The canonical SMILES for 4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol is Cc1cc(O)ccc1OCc1c(F)cccc1N(C)N.
What is the InChIKey of 4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol?
The InChIKey is KFPUFQRPMXWMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-8-11(19)6-7-15(10)20-9-12-13(16)4-3-5-14(12)18(2)17/h3-8,19H,9,17H2,1-2H3.
What are the key properties of 4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol?
4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol has a molecular weight of 276.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol is sourced from PubChem (CID 129110158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).