N-butyl-4-fluoro-N-methylaniline

C11H16FN — CID 70573878

IUPACN-butyl-4-fluoro-N-methylaniline
SMILESCCCCN(C)c1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-3-4-9-13(2)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyLCJWTKBNOWGDQI-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.06
Rot. Bonds4

About N-butyl-4-fluoro-N-methylaniline

N-butyl-4-fluoro-N-methylaniline (PubChem CID 70573878) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-butyl-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-butyl-4-fluoro-N-methylaniline
PubChem CID70573878
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-butyl-4-fluoro-N-methylaniline
SMILESCCCCN(C)c1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-3-4-9-13(2)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyLCJWTKBNOWGDQI-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
4-fluoro-N-methyl-N-propylaniline
CID 23197529
N,N-dibutyl-4-fluoroaniline
CID 15399711
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
N,4-dibutyl-N-methylaniline
CID 118183375
4-(4-fluoro-N-methylanilino)butanenitrile
CID 60965381
N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63503917
N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62555568
4-fluoro-N,N-dioctylaniline
CID 91747748
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
N'-(4-fluorophenyl)-N',2-dimethylpentane-1,5-diamine
CID 82682682
4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline
CID 134579409

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-fluoro-N-methylaniline?
The IUPAC name of N-butyl-4-fluoro-N-methylaniline (CID 70573878) is N-butyl-4-fluoro-N-methylaniline.
What is the SMILES notation for N-butyl-4-fluoro-N-methylaniline?
The canonical SMILES for N-butyl-4-fluoro-N-methylaniline is CCCCN(C)c1ccc(F)cc1.
What is the InChIKey of N-butyl-4-fluoro-N-methylaniline?
The InChIKey is LCJWTKBNOWGDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-4-9-13(2)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-4-fluoro-N-methylaniline?
N-butyl-4-fluoro-N-methylaniline has a molecular weight of 181.25 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-fluoro-N-methylaniline is sourced from PubChem (CID 70573878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).