N-butan-2-yl-3-fluoro-4-methylaniline

C11H16FN — CID 43195613

IUPACN-butan-2-yl-3-fluoro-4-methylaniline
SMILESCCC(C)Nc1ccc(C)c(F)c1
InChIInChI=1S/C11H16FN/c1-4-9(3)13-10-6-5-8(2)11(12)7-10/h5-7,9,13H,4H2,1-3H3
InChIKeyIMOZNGQITFSINS-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.34
Rot. Bonds3

About N-butan-2-yl-3-fluoro-4-methylaniline

N-butan-2-yl-3-fluoro-4-methylaniline (PubChem CID 43195613) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-butan-2-yl-3-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-butan-2-yl-3-fluoro-4-methylaniline
PubChem CID43195613
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-butan-2-yl-3-fluoro-4-methylaniline
SMILESCCC(C)Nc1ccc(C)c(F)c1
InChIInChI=1S/C11H16FN/c1-4-9(3)13-10-6-5-8(2)11(12)7-10/h5-7,9,13H,4H2,1-3H3
InChIKeyIMOZNGQITFSINS-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-fluoro-4-methylaniline?
The IUPAC name of N-butan-2-yl-3-fluoro-4-methylaniline (CID 43195613) is N-butan-2-yl-3-fluoro-4-methylaniline.
What is the SMILES notation for N-butan-2-yl-3-fluoro-4-methylaniline?
The canonical SMILES for N-butan-2-yl-3-fluoro-4-methylaniline is CCC(C)Nc1ccc(C)c(F)c1.
What is the InChIKey of N-butan-2-yl-3-fluoro-4-methylaniline?
The InChIKey is IMOZNGQITFSINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-9(3)13-10-6-5-8(2)11(12)7-10/h5-7,9,13H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-3-fluoro-4-methylaniline?
N-butan-2-yl-3-fluoro-4-methylaniline has a molecular weight of 181.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-fluoro-4-methylaniline is sourced from PubChem (CID 43195613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).