N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline

C17H19F2N — CID 63448442

IUPACN-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NC(C)c2c(F)cccc2F)c(C)c1
InChIInChI=1S/C17H19F2N/c1-10-8-11(2)17(12(3)9-10)20-13(4)16-14(18)6-5-7-15(16)19/h5-9,13,20H,1-4H3
InChIKeyKRQUHCCPLRHAQX-UHFFFAOYSA-N
MW275.34 g/mol
LogP5.06
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline

N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline (PubChem CID 63448442) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline
PubChem CID63448442
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NC(C)c2c(F)cccc2F)c(C)c1
InChIInChI=1S/C17H19F2N/c1-10-8-11(2)17(12(3)9-10)20-13(4)16-14(18)6-5-7-15(16)19/h5-9,13,20H,1-4H3
InChIKeyKRQUHCCPLRHAQX-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.34
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline 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]-2,5-dimethylaniline
CID 43110826
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 65469512
N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 43717020
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 82963536
N-[1-(2,6-difluorophenyl)ethyl]-2-fluoro-6-nitroaniline
CID 81306465
3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
CID 107572509
N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
CID 82684718
3-chloro-2-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43122944
3-[1-(2,4,6-trimethylanilino)ethyl]benzonitrile
CID 60924468
N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
CID 43191040
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline
CID 102852745

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline (CID 63448442) is N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NC(C)c2c(F)cccc2F)c(C)c1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline?
The InChIKey is KRQUHCCPLRHAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-10-8-11(2)17(12(3)9-10)20-13(4)16-14(18)6-5-7-15(16)19/h5-9,13,20H,1-4H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline?
N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline has a molecular weight of 275.34 g/mol, XLogP of 5.06, 3 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]-2,4,6-trimethylaniline is sourced from PubChem (CID 63448442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).