N,4-diethyl-5-fluoro-2-methylaniline

C11H16FN — CID 144881437

IUPACN,4-diethyl-5-fluoro-2-methylaniline
SMILESCCNc1cc(F)c(CC)cc1C
InChIInChI=1S/C11H16FN/c1-4-9-6-8(3)11(13-5-2)7-10(9)12/h6-7,13H,4-5H2,1-3H3
InChIKeyZLUVVDDYDYRELU-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.13
Rot. Bonds3

About N,4-diethyl-5-fluoro-2-methylaniline

N,4-diethyl-5-fluoro-2-methylaniline (PubChem CID 144881437) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N,4-diethyl-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN,4-diethyl-5-fluoro-2-methylaniline
PubChem CID144881437
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN,4-diethyl-5-fluoro-2-methylaniline
SMILESCCNc1cc(F)c(CC)cc1C
InChIInChI=1S/C11H16FN/c1-4-9-6-8(3)11(13-5-2)7-10(9)12/h6-7,13H,4-5H2,1-3H3
InChIKeyZLUVVDDYDYRELU-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diethyl-4-fluoroaniline
CID 23348964
2-chloro-N-ethyl-4,5-difluoroaniline
CID 130725637
5-ethyl-4-fluoro-2-methylphenol
CID 118092212
N,2-diethyl-4-methylaniline
CID 23348946
(5-ethyl-4-fluoro-2-methylphenyl)methanol
CID 117276635
2-(ethylamino)-4,5-difluorobenzamide
CID 174841980
N,2-diethyl-5-methylaniline;ethane
CID 143835073
(2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane
CID 161032343
4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine
CID 162381619
1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone
CID 117278348
1-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 18957572
4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 63210632

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-fluoro-2-methylaniline?
The IUPAC name of N,4-diethyl-5-fluoro-2-methylaniline (CID 144881437) is N,4-diethyl-5-fluoro-2-methylaniline.
What is the SMILES notation for N,4-diethyl-5-fluoro-2-methylaniline?
The canonical SMILES for N,4-diethyl-5-fluoro-2-methylaniline is CCNc1cc(F)c(CC)cc1C.
What is the InChIKey of N,4-diethyl-5-fluoro-2-methylaniline?
The InChIKey is ZLUVVDDYDYRELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-9-6-8(3)11(13-5-2)7-10(9)12/h6-7,13H,4-5H2,1-3H3.
What are the key properties of N,4-diethyl-5-fluoro-2-methylaniline?
N,4-diethyl-5-fluoro-2-methylaniline has a molecular weight of 181.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-fluoro-2-methylaniline is sourced from PubChem (CID 144881437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).