N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline

C14H12F3N — CID 43194675

IUPACN-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H12F3N/c1-9(13-7-4-11(16)8-14(13)17)18-12-5-2-10(15)3-6-12/h2-9,18H,1H3
InChIKeyUMUNSPHEIUYDSO-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.28
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline

N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline (PubChem CID 43194675) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
PubChem CID43194675
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H12F3N/c1-9(13-7-4-11(16)8-14(13)17)18-12-5-2-10(15)3-6-12/h2-9,18H,1H3
InChIKeyUMUNSPHEIUYDSO-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butan-2-yl-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43681088
5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol
CID 107700745
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
4-[1-(2,5-difluorophenyl)ethylamino]phenol
CID 43742782
N-[1-(2,4-difluorophenyl)ethyl]-1H-indazol-6-amine
CID 43743449
2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile
CID 43686866
N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline
CID 62810510
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376255
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
4-[1-(2,4-difluorophenyl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 56583939

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline (CID 43194675) is N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline is CC(Nc1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline?
The InChIKey is UMUNSPHEIUYDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-9(13-7-4-11(16)8-14(13)17)18-12-5-2-10(15)3-6-12/h2-9,18H,1H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline?
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline has a molecular weight of 251.25 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 43194675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).