N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline

C15H14F3N — CID 43102776

IUPACN-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NC(C)c1cc(F)ccc1F
InChIInChI=1S/C15H14F3N/c1-9-3-4-12(17)8-15(9)19-10(2)13-7-11(16)5-6-14(13)18/h3-8,10,19H,1-2H3
InChIKeyQMCDIAURXKWOEU-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.59
Rot. Bonds3

About N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline

N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline (PubChem CID 43102776) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
PubChem CID43102776
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NC(C)c1cc(F)ccc1F
InChIInChI=1S/C15H14F3N/c1-9-3-4-12(17)8-15(9)19-10(2)13-7-11(16)5-6-14(13)18/h3-8,10,19H,1-2H3
InChIKeyQMCDIAURXKWOEU-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 43718530
N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43094302
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659
5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993598
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215
5-[1-(2,5-difluorophenyl)ethylamino]-2-methylbenzamide
CID 56788859
4-[1-(2,5-difluorophenyl)ethylamino]phenol
CID 43742782

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline (CID 43102776) is N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline is Cc1ccc(F)cc1NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline?
The InChIKey is QMCDIAURXKWOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-9-3-4-12(17)8-15(9)19-10(2)13-7-11(16)5-6-14(13)18/h3-8,10,19H,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline?
N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline has a molecular weight of 265.28 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 43102776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).