N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline

C16H17F2N — CID 43094216

IUPACN-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline
SMILESCCc1ccccc1NC(C)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N/c1-3-12-7-4-5-10-15(12)19-11(2)16-13(17)8-6-9-14(16)18/h4-11,19H,3H2,1-2H3
InChIKeyOZLAEGPFVUJDJC-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.70
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline

N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline (PubChem CID 43094216) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline
PubChem CID43094216
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline
SMILESCCc1ccccc1NC(C)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N/c1-3-12-7-4-5-10-15(12)19-11(2)16-13(17)8-6-9-14(16)18/h4-11,19H,3H2,1-2H3
InChIKeyOZLAEGPFVUJDJC-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
CID 43111468
2-[1-(2,6-difluorophenyl)ethylamino]benzoic acid
CID 43322120
1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine
CID 129291272
2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43764537
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730076
N-[1-(2,4-dimethylphenyl)ethyl]-2-ethylaniline
CID 43096079
N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline
CID 43110826
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline
CID 102852745
[2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol
CID 43743261
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol
CID 43195633

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline (CID 43094216) is N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline is CCc1ccccc1NC(C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline?
The InChIKey is OZLAEGPFVUJDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-12-7-4-5-10-15(12)19-11(2)16-13(17)8-6-9-14(16)18/h4-11,19H,3H2,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline?
N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline has a molecular weight of 261.31 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline is sourced from PubChem (CID 43094216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).