N,N-diethyl-4-fluoroaniline

C10H14FN — CID 592416

IUPACN,N-diethyl-4-fluoroaniline
SMILESCCN(CC)c1ccc(F)cc1
InChIInChI=1S/C10H14FN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyBLGCFZZVFXBRSW-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.67
Rot. Bonds3

About N,N-diethyl-4-fluoroaniline

N,N-diethyl-4-fluoroaniline (PubChem CID 592416) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is N,N-diethyl-4-fluoroaniline.

Molecular Properties

Compound NameN,N-diethyl-4-fluoroaniline
PubChem CID592416
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC NameN,N-diethyl-4-fluoroaniline
SMILESCCN(CC)c1ccc(F)cc1
InChIInChI=1S/C10H14FN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyBLGCFZZVFXBRSW-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline
CID 143503842
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
N-(9-bromononyl)-N-ethyl-4-fluoroaniline
CID 105343736
1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine
CID 65267083
N-(3-bromo-2-methylpropyl)-N-ethyl-4-fluoroaniline
CID 64996414
N,N-dibutyl-4-fluoroaniline
CID 15399711
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride
CID 53351243

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-fluoroaniline?
The IUPAC name of N,N-diethyl-4-fluoroaniline (CID 592416) is N,N-diethyl-4-fluoroaniline.
What is the SMILES notation for N,N-diethyl-4-fluoroaniline?
The canonical SMILES for N,N-diethyl-4-fluoroaniline is CCN(CC)c1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-4-fluoroaniline?
The InChIKey is BLGCFZZVFXBRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-fluoroaniline?
N,N-diethyl-4-fluoroaniline has a molecular weight of 167.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-fluoroaniline is sourced from PubChem (CID 592416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).