4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline

C16H16BrF2N — CID 63448815

IUPAC4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16BrF2N/c1-9-6-13(17)7-10(2)16(9)20-11(3)12-4-5-14(18)15(19)8-12/h4-8,11,20H,1-3H3
InChIKeyOWNKYLAKDKRGAJ-UHFFFAOYSA-N
MW340.21 g/mol
LogP5.52
Rot. Bonds3

About 4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline

4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline (PubChem CID 63448815) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline
PubChem CID63448815
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16BrF2N/c1-9-6-13(17)7-10(2)16(9)20-11(3)12-4-5-14(18)15(19)8-12/h4-8,11,20H,1-3H3
InChIKeyOWNKYLAKDKRGAJ-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
CID 63448717
4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 65469865
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
4-bromo-2,6-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 65469450
2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 107643680
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
CID 63449107
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 63449951
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 81271462
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline (CID 63448815) is 4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline?
The InChIKey is OWNKYLAKDKRGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-9-6-13(17)7-10(2)16(9)20-11(3)12-4-5-14(18)15(19)8-12/h4-8,11,20H,1-3H3.
What are the key properties of 4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline?
4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline has a molecular weight of 340.21 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline is sourced from PubChem (CID 63448815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).