N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline

C16H17F2N — CID 43110826

IUPACN-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NC(C)c2c(F)cccc2F)c1
InChIInChI=1S/C16H17F2N/c1-10-7-8-11(2)15(9-10)19-12(3)16-13(17)5-4-6-14(16)18/h4-9,12,19H,1-3H3
InChIKeyHLVNTQUSSPODSP-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.75
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline

N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline (PubChem CID 43110826) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline
PubChem CID43110826
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NC(C)c2c(F)cccc2F)c1
InChIInChI=1S/C16H17F2N/c1-10-7-8-11(2)15(9-10)19-12(3)16-13(17)5-4-6-14(16)18/h4-9,12,19H,1-3H3
InChIKeyHLVNTQUSSPODSP-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,5-dimethylaniline
CID 43545101
N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448442
N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 43717020
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline
CID 102852745
2-[1-(2,5-dimethylanilino)ethyl]phenol
CID 43196548
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
CID 43111468
N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43094302
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
CID 107632832
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline (CID 43110826) is N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline is Cc1ccc(C)c(NC(C)c2c(F)cccc2F)c1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline?
The InChIKey is HLVNTQUSSPODSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-7-8-11(2)15(9-10)19-12(3)16-13(17)5-4-6-14(16)18/h4-9,12,19H,1-3H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline?
N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline has a molecular weight of 261.31 g/mol, XLogP of 4.75, 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]-2,5-dimethylaniline is sourced from PubChem (CID 43110826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).