N,N-dibutyl-4-fluoroaniline

C14H22FN — CID 15399711

IUPACN,N-dibutyl-4-fluoroaniline
SMILESCCCCN(CCCC)c1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-3-5-11-16(12-6-4-2)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKeyLPWBLAHVIWFXBH-UHFFFAOYSA-N
MW223.34 g/mol
LogP4.23
Rot. Bonds7

About N,N-dibutyl-4-fluoroaniline

N,N-dibutyl-4-fluoroaniline (PubChem CID 15399711) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N,N-dibutyl-4-fluoroaniline.

Molecular Properties

Compound NameN,N-dibutyl-4-fluoroaniline
PubChem CID15399711
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN,N-dibutyl-4-fluoroaniline
SMILESCCCCN(CCCC)c1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-3-5-11-16(12-6-4-2)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKeyLPWBLAHVIWFXBH-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N,N-dioctylaniline
CID 91747748
N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
N-butyl-4-fluoro-N-methylaniline
CID 70573878
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
N,N-dibutyl-4-phosphanylaniline
CID 175417850
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
N,N-diethyl-4-fluoroaniline
CID 592416
2-(4-fluoro-N-pentylanilino)acetamide
CID 57125952
1-N,1-N-dibutyl-4-N,4-N-bis[4-[butyl(4,4,4-trifluorobutyl)amino]phenyl]benzene-1,4-diamine
CID 58480980
tris[4-(dibutylamino)phenyl]azanium hexafluorophosphate
CID 172867632
[4-(dibutylamino)phenyl]boronic acid
CID 130141719

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-fluoroaniline?
The IUPAC name of N,N-dibutyl-4-fluoroaniline (CID 15399711) is N,N-dibutyl-4-fluoroaniline.
What is the SMILES notation for N,N-dibutyl-4-fluoroaniline?
The canonical SMILES for N,N-dibutyl-4-fluoroaniline is CCCCN(CCCC)c1ccc(F)cc1.
What is the InChIKey of N,N-dibutyl-4-fluoroaniline?
The InChIKey is LPWBLAHVIWFXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-3-5-11-16(12-6-4-2)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of N,N-dibutyl-4-fluoroaniline?
N,N-dibutyl-4-fluoroaniline has a molecular weight of 223.34 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-fluoroaniline is sourced from PubChem (CID 15399711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).