2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline

C11H17FN2 — CID 117108084

IUPAC2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline
SMILESCNCCc1ccc(F)c(N(C)C)c1
InChIInChI=1S/C11H17FN2/c1-13-7-6-9-4-5-10(12)11(8-9)14(2)3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyJSMYAZKZOZLICV-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.65
Rot. Bonds4

About 2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline

2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline (PubChem CID 117108084) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline
PubChem CID117108084
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline
SMILESCNCCc1ccc(F)c(N(C)C)c1
InChIInChI=1S/C11H17FN2/c1-13-7-6-9-4-5-10(12)11(8-9)14(2)3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyJSMYAZKZOZLICV-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline?
The IUPAC name of 2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline (CID 117108084) is 2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline?
The canonical SMILES for 2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline is CNCCc1ccc(F)c(N(C)C)c1.
What is the InChIKey of 2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline?
The InChIKey is JSMYAZKZOZLICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-13-7-6-9-4-5-10(12)11(8-9)14(2)3/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline?
2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline has a molecular weight of 196.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline is sourced from PubChem (CID 117108084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).