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

C14H12ClF2N — CID 43111468

IUPAC2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
SMILESCC(Nc1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C14H12ClF2N/c1-9(14-11(16)6-4-7-12(14)17)18-13-8-3-2-5-10(13)15/h2-9,18H,1H3
InChIKeySSWYVVJVAZTAJD-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.79
Rot. Bonds3

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

2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline (PubChem CID 43111468) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
PubChem CID43111468
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
SMILESCC(Nc1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C14H12ClF2N/c1-9(14-11(16)6-4-7-12(14)17)18-13-8-3-2-5-10(13)15/h2-9,18H,1H3
InChIKeySSWYVVJVAZTAJD-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline 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-(2,6-difluorophenyl)ethyl]-2-ethylaniline
CID 43094216
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile
CID 54887309
(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 81377416
3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
CID 107572509
2-[1-(2,6-difluorophenyl)ethylamino]benzoic acid
CID 43322120
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43763076
N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine
CID 133356517
3-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylaniline
CID 43545032
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile
CID 43399542
3-chloro-2-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43122944

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline (CID 43111468) is 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline is CC(Nc1ccccc1Cl)c1c(F)cccc1F.
What is the InChIKey of 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline?
The InChIKey is SSWYVVJVAZTAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-9(14-11(16)6-4-7-12(14)17)18-13-8-3-2-5-10(13)15/h2-9,18H,1H3.
What are the key properties of 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline?
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline has a molecular weight of 267.71 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline is sourced from PubChem (CID 43111468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).