N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline

C13H20FN — CID 155197841

IUPACN-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline
SMILESCN(CC(C)(C)CCF)c1ccccc1
InChIInChI=1S/C13H20FN/c1-13(2,9-10-14)11-15(3)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyJFVPJZBNPOBMFE-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.51
Rot. Bonds5

About N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline

N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline (PubChem CID 155197841) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline.

Molecular Properties

Compound NameN-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline
PubChem CID155197841
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline
SMILESCN(CC(C)(C)CCF)c1ccccc1
InChIInChI=1S/C13H20FN/c1-13(2,9-10-14)11-15(3)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyJFVPJZBNPOBMFE-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline?
The IUPAC name of N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline (CID 155197841) is N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline.
What is the SMILES notation for N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline?
The canonical SMILES for N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline is CN(CC(C)(C)CCF)c1ccccc1.
What is the InChIKey of N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline?
The InChIKey is JFVPJZBNPOBMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-13(2,9-10-14)11-15(3)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline?
N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline has a molecular weight of 209.31 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline is sourced from PubChem (CID 155197841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).