[3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol

C11H15FN2O — CID 176566738

IUPAC[3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol
SMILESCCc1cc(/C=N/C)c(N)c(F)c1CO
InChIInChI=1S/C11H15FN2O/c1-3-7-4-8(5-14-2)11(13)10(12)9(7)6-15/h4-5,15H,3,6,13H2,1-2H3/b14-5+
InChIKeyWOEJIDRPPACHCC-LHHJGKSTSA-N
MW210.25 g/mol
LogP1.51
Rot. Bonds3

About [3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol

[3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol (PubChem CID 176566738) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is [3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol
PubChem CID176566738
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name[3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol
SMILESCCc1cc(/C=N/C)c(N)c(F)c1CO
InChIInChI=1S/C11H15FN2O/c1-3-7-4-8(5-14-2)11(13)10(12)9(7)6-15/h4-5,15H,3,6,13H2,1-2H3/b14-5+
InChIKeyWOEJIDRPPACHCC-LHHJGKSTSA-N
XLogP1.51
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol?
The IUPAC name of [3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol (CID 176566738) is [3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol.
What is the SMILES notation for [3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol?
The canonical SMILES for [3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol is CCc1cc(/C=N/C)c(N)c(F)c1CO.
What is the InChIKey of [3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol?
The InChIKey is WOEJIDRPPACHCC-LHHJGKSTSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-7-4-8(5-14-2)11(13)10(12)9(7)6-15/h4-5,15H,3,6,13H2,1-2H3/b14-5+.
What are the key properties of [3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol?
[3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol has a molecular weight of 210.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-ethyl-2-fluoro-4-(methyliminomethyl)phenyl]methanol is sourced from PubChem (CID 176566738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).