[3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane

C12H18FNO2 — CID 143450651

IUPAC[3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane
SMILESCCC.CNc1ccc(F)c(C)c1OC=O
InChIInChI=1S/C9H10FNO2.C3H8/c1-6-7(10)3-4-8(11-2)9(6)13-5-12;1-3-2/h3-5,11H,1-2H3;3H2,1-2H3
InChIKeyOQPOTHVZFVJSHK-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.13
Rot. Bonds3

About [3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane

[3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane (PubChem CID 143450651) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is [3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane.

Molecular Properties

Compound Name[3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane
PubChem CID143450651
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name[3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane
SMILESCCC.CNc1ccc(F)c(C)c1OC=O
InChIInChI=1S/C9H10FNO2.C3H8/c1-6-7(10)3-4-8(11-2)9(6)13-5-12;1-3-2/h3-5,11H,1-2H3;3H2,1-2H3
InChIKeyOQPOTHVZFVJSHK-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane?
The IUPAC name of [3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane (CID 143450651) is [3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane.
What is the SMILES notation for [3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane?
The canonical SMILES for [3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane is CCC.CNc1ccc(F)c(C)c1OC=O.
What is the InChIKey of [3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane?
The InChIKey is OQPOTHVZFVJSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2.C3H8/c1-6-7(10)3-4-8(11-2)9(6)13-5-12;1-3-2/h3-5,11H,1-2H3;3H2,1-2H3.
What are the key properties of [3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane?
[3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane has a molecular weight of 227.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane is sourced from PubChem (CID 143450651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).