2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline

C13H20FN — CID 59139889

IUPAC2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)ccc1CC(C)(C)C
InChIInChI=1S/C13H20FN/c1-13(2,3)9-10-6-7-11(14)8-12(10)15(4)5/h6-8H,9H2,1-5H3
InChIKeyNEONVRXLACRDPS-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.48
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline

2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline (PubChem CID 59139889) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline
PubChem CID59139889
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)ccc1CC(C)(C)C
InChIInChI=1S/C13H20FN/c1-13(2,3)9-10-6-7-11(14)8-12(10)15(4)5/h6-8H,9H2,1-5H3
InChIKeyNEONVRXLACRDPS-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline (CID 59139889) is 2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline is CN(C)c1cc(F)ccc1CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline?
The InChIKey is NEONVRXLACRDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-13(2,3)9-10-6-7-11(14)8-12(10)15(4)5/h6-8H,9H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline?
2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline has a molecular weight of 209.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 59139889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).