ethane;3-fluoro-2-methylaniline;methanimine

C11H20FN3 — CID 144871990

IUPACethane;3-fluoro-2-methylaniline;methanimine
SMILESCC.Cc1c(N)cccc1F.[H]N=C.[H]N=C
InChIInChI=1S/C7H8FN.C2H6.2CH3N/c1-5-6(8)3-2-4-7(5)9;3*1-2/h2-4H,9H2,1H3;1-2H3;2*2H,1H2
InChIKeyLHJYSUJFNGEQFD-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.27
Rot. Bonds

About ethane;3-fluoro-2-methylaniline;methanimine

ethane;3-fluoro-2-methylaniline;methanimine (PubChem CID 144871990) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is ethane;3-fluoro-2-methylaniline;methanimine.

Molecular Properties

Compound Nameethane;3-fluoro-2-methylaniline;methanimine
PubChem CID144871990
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Nameethane;3-fluoro-2-methylaniline;methanimine
SMILESCC.Cc1c(N)cccc1F.[H]N=C.[H]N=C
InChIInChI=1S/C7H8FN.C2H6.2CH3N/c1-5-6(8)3-2-4-7(5)9;3*1-2/h2-4H,9H2,1H3;1-2H3;2*2H,1H2
InChIKeyLHJYSUJFNGEQFD-UHFFFAOYSA-N
XLogP3.27
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.27
H-Bond Donors ≤ 53
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 ethane;3-fluoro-2-methylaniline;methanimine?
The IUPAC name of ethane;3-fluoro-2-methylaniline;methanimine (CID 144871990) is ethane;3-fluoro-2-methylaniline;methanimine.
What is the SMILES notation for ethane;3-fluoro-2-methylaniline;methanimine?
The canonical SMILES for ethane;3-fluoro-2-methylaniline;methanimine is CC.Cc1c(N)cccc1F.[H]N=C.[H]N=C.
What is the InChIKey of ethane;3-fluoro-2-methylaniline;methanimine?
The InChIKey is LHJYSUJFNGEQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN.C2H6.2CH3N/c1-5-6(8)3-2-4-7(5)9;3*1-2/h2-4H,9H2,1H3;1-2H3;2*2H,1H2.
What are the key properties of ethane;3-fluoro-2-methylaniline;methanimine?
ethane;3-fluoro-2-methylaniline;methanimine has a molecular weight of 213.30 g/mol, XLogP of 3.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-2-methylaniline;methanimine is sourced from PubChem (CID 144871990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).