4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline

C16H16BrClFN — CID 63449107

IUPAC4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16BrClFN/c1-9-6-12(17)7-10(2)16(9)20-11(3)14-5-4-13(19)8-15(14)18/h4-8,11,20H,1-3H3
InChIKeyBOLAMBVAAGTNCT-UHFFFAOYSA-N
MW356.67 g/mol
LogP6.03
Rot. Bonds3

About 4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline

4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline (PubChem CID 63449107) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
PubChem CID63449107
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16BrClFN/c1-9-6-12(17)7-10(2)16(9)20-11(3)14-5-4-13(19)8-15(14)18/h4-8,11,20H,1-3H3
InChIKeyBOLAMBVAAGTNCT-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768876
2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 103478123
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
CID 43790193
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449279
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 82963536
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline (CID 63449107) is 4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NC(C)c1ccc(F)cc1Cl.
What is the InChIKey of 4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline?
The InChIKey is BOLAMBVAAGTNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-9-6-12(17)7-10(2)16(9)20-11(3)14-5-4-13(19)8-15(14)18/h4-8,11,20H,1-3H3.
What are the key properties of 4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline?
4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline has a molecular weight of 356.67 g/mol, XLogP of 6.03, 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-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline is sourced from PubChem (CID 63449107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).