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

C10H13FN2O — CID 176566329

IUPAC[3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol
SMILESC/N=C/c1cc(C)c(CO)c(F)c1N
InChIInChI=1S/C10H13FN2O/c1-6-3-7(4-13-2)10(12)9(11)8(6)5-14/h3-4,14H,5,12H2,1-2H3/b13-4+
InChIKeyHOAZZOHULCSSSA-YIXHJXPBSA-N
MW196.22 g/mol
LogP1.26
Rot. Bonds2

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

[3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol (PubChem CID 176566329) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is [3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol
PubChem CID176566329
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name[3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol
SMILESC/N=C/c1cc(C)c(CO)c(F)c1N
InChIInChI=1S/C10H13FN2O/c1-6-3-7(4-13-2)10(12)9(11)8(6)5-14/h3-4,14H,5,12H2,1-2H3/b13-4+
InChIKeyHOAZZOHULCSSSA-YIXHJXPBSA-N
XLogP1.26
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.26
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-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol?
The IUPAC name of [3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol (CID 176566329) is [3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol.
What is the SMILES notation for [3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol?
The canonical SMILES for [3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol is C/N=C/c1cc(C)c(CO)c(F)c1N.
What is the InChIKey of [3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol?
The InChIKey is HOAZZOHULCSSSA-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-6-3-7(4-13-2)10(12)9(11)8(6)5-14/h3-4,14H,5,12H2,1-2H3/b13-4+.
What are the key properties of [3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol?
[3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol has a molecular weight of 196.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-fluoro-6-methyl-4-(methyliminomethyl)phenyl]methanol is sourced from PubChem (CID 176566329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).