5-cyclopropyl-2-fluoro-N,4-dimethylaniline

C11H14FN — CID 166728321

IUPAC5-cyclopropyl-2-fluoro-N,4-dimethylaniline
SMILESCNc1cc(C2CC2)c(C)cc1F
InChIInChI=1S/C11H14FN/c1-7-5-10(12)11(13-2)6-9(7)8-3-4-8/h5-6,8,13H,3-4H2,1-2H3
InChIKeyVZAWZRXXUPZNPA-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.05
Rot. Bonds2

About 5-cyclopropyl-2-fluoro-N,4-dimethylaniline

5-cyclopropyl-2-fluoro-N,4-dimethylaniline (PubChem CID 166728321) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-N,4-dimethylaniline.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-N,4-dimethylaniline
PubChem CID166728321
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name5-cyclopropyl-2-fluoro-N,4-dimethylaniline
SMILESCNc1cc(C2CC2)c(C)cc1F
InChIInChI=1S/C11H14FN/c1-7-5-10(12)11(13-2)6-9(7)8-3-4-8/h5-6,8,13H,3-4H2,1-2H3
InChIKeyVZAWZRXXUPZNPA-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-N,4-dimethylaniline?
The IUPAC name of 5-cyclopropyl-2-fluoro-N,4-dimethylaniline (CID 166728321) is 5-cyclopropyl-2-fluoro-N,4-dimethylaniline.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-N,4-dimethylaniline?
The canonical SMILES for 5-cyclopropyl-2-fluoro-N,4-dimethylaniline is CNc1cc(C2CC2)c(C)cc1F.
What is the InChIKey of 5-cyclopropyl-2-fluoro-N,4-dimethylaniline?
The InChIKey is VZAWZRXXUPZNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-7-5-10(12)11(13-2)6-9(7)8-3-4-8/h5-6,8,13H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-fluoro-N,4-dimethylaniline?
5-cyclopropyl-2-fluoro-N,4-dimethylaniline has a molecular weight of 179.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-N,4-dimethylaniline is sourced from PubChem (CID 166728321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).