N,N-diethyl-2-fluoro-4-methylaniline

C11H16FN — CID 54076373

IUPACN,N-diethyl-2-fluoro-4-methylaniline
SMILESCCN(CC)c1ccc(C)cc1F
InChIInChI=1S/C11H16FN/c1-4-13(5-2)11-7-6-9(3)8-10(11)12/h6-8H,4-5H2,1-3H3
InChIKeyMTXKAYWGVGSQJE-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.98
Rot. Bonds3

About N,N-diethyl-2-fluoro-4-methylaniline

N,N-diethyl-2-fluoro-4-methylaniline (PubChem CID 54076373) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-4-methylaniline
PubChem CID54076373
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN,N-diethyl-2-fluoro-4-methylaniline
SMILESCCN(CC)c1ccc(C)cc1F
InChIInChI=1S/C11H16FN/c1-4-13(5-2)11-7-6-9(3)8-10(11)12/h6-8H,4-5H2,1-3H3
InChIKeyMTXKAYWGVGSQJE-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dimethyl-p-toluidine
CID 7471
Bis(p-(dimethylamino)phenyl)methane
CID 7567
N,N-Diethylaniline
CID 7061
N-ethyl-3-methylaniline
CID 7603
N,N-Bis(2-hydroxyethyl)-p-toluidine
CID 76497
3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine
CID 118703
N-Ethyl-N-benzylaniline
CID 7098
N,N-dimethyl-m-toluidine
CID 8488
4-Dimethylaminostilbene
CID 640024
N,N-diethyl-m-toluidine
CID 66679
N,N,N',N'-Tetramethylbenzidine
CID 9702
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-4-methylaniline?
The IUPAC name of N,N-diethyl-2-fluoro-4-methylaniline (CID 54076373) is N,N-diethyl-2-fluoro-4-methylaniline.
What is the SMILES notation for N,N-diethyl-2-fluoro-4-methylaniline?
The canonical SMILES for N,N-diethyl-2-fluoro-4-methylaniline is CCN(CC)c1ccc(C)cc1F.
What is the InChIKey of N,N-diethyl-2-fluoro-4-methylaniline?
The InChIKey is MTXKAYWGVGSQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-13(5-2)11-7-6-9(3)8-10(11)12/h6-8H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-fluoro-4-methylaniline?
N,N-diethyl-2-fluoro-4-methylaniline has a molecular weight of 181.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-4-methylaniline is sourced from PubChem (CID 54076373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).