4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline

C10H13BrFN — CID 86672778

IUPAC4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline
SMILESCc1cc(NCCF)cc(C)c1Br
InChIInChI=1S/C10H13BrFN/c1-7-5-9(13-4-3-12)6-8(2)10(7)11/h5-6,13H,3-4H2,1-2H3
InChIKeyJLPLFBINVTWEML-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.45
Rot. Bonds3

About 4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline

4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline (PubChem CID 86672778) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline
PubChem CID86672778
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline
SMILESCc1cc(NCCF)cc(C)c1Br
InChIInChI=1S/C10H13BrFN/c1-7-5-9(13-4-3-12)6-8(2)10(7)11/h5-6,13H,3-4H2,1-2H3
InChIKeyJLPLFBINVTWEML-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-3,5-dimethylaniline
CID 12383117
N-benzyl-4-bromoaniline
CID 961575
4-Bromo-N,N,3-trimethylaniline
CID 12385715
4-bromo-N-(4-methylbenzyl)aniline
CID 292569
4-Bromo-N,2-diethylaniline
CID 23053415
4-bromo-N,2-dimethylaniline
CID 22042599
4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
CID 688191
4-Bromo-N,N,3,5-tetramethylaniline
CID 44629944
4-Bromo-N-ethyl-2-fluorobenzenamine
CID 28446637
3-bromo-4-methyl-N-(propan-2-yl)aniline
CID 23291925
4-bromo-N,3-dimethylaniline hydrochloride
CID 137949423
3-[(4-Bromo-3-methylanilino)methyl]benzonitrile
CID 28446684

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline?
The IUPAC name of 4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline (CID 86672778) is 4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline.
What is the SMILES notation for 4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline?
The canonical SMILES for 4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline is Cc1cc(NCCF)cc(C)c1Br.
What is the InChIKey of 4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline?
The InChIKey is JLPLFBINVTWEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-7-5-9(13-4-3-12)6-8(2)10(7)11/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline?
4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline has a molecular weight of 246.12 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-fluoroethyl)-3,5-dimethylaniline is sourced from PubChem (CID 86672778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).