2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane

C13H19FN2 — CID 169233919

IUPAC2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane
SMILESCC.Cc1cc(F)c(N)c(/C=N/C2CC2)c1
InChIInChI=1S/C11H13FN2.C2H6/c1-7-4-8(6-14-9-2-3-9)11(13)10(12)5-7;1-2/h4-6,9H,2-3,13H2,1H3;1-2H3/b14-6+;
InChIKeyBSFVMBKAUZRLDG-JSSTZBRYSA-N
MW222.31 g/mol
LogP3.32
Rot. Bonds2

About 2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane

2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane (PubChem CID 169233919) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane.

Molecular Properties

Compound Name2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane
PubChem CID169233919
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane
SMILESCC.Cc1cc(F)c(N)c(/C=N/C2CC2)c1
InChIInChI=1S/C11H13FN2.C2H6/c1-7-4-8(6-14-9-2-3-9)11(13)10(12)5-7;1-2/h4-6,9H,2-3,13H2,1H3;1-2H3/b14-6+;
InChIKeyBSFVMBKAUZRLDG-JSSTZBRYSA-N
XLogP3.32
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane?
The IUPAC name of 2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane (CID 169233919) is 2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane.
What is the SMILES notation for 2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane?
The canonical SMILES for 2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane is CC.Cc1cc(F)c(N)c(/C=N/C2CC2)c1.
What is the InChIKey of 2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane?
The InChIKey is BSFVMBKAUZRLDG-JSSTZBRYSA-N. The full InChI is InChI=1S/C11H13FN2.C2H6/c1-7-4-8(6-14-9-2-3-9)11(13)10(12)5-7;1-2/h4-6,9H,2-3,13H2,1H3;1-2H3/b14-6+;.
What are the key properties of 2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane?
2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane has a molecular weight of 222.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropyliminomethyl)-6-fluoro-4-methylaniline;ethane is sourced from PubChem (CID 169233919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).