2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline

C15H13BrCl2FN — CID 107598199

IUPAC2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline
SMILESCCC(Nc1c(F)cccc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2FN/c1-2-14(10-7-6-9(17)8-12(10)18)20-15-11(16)4-3-5-13(15)19/h3-8,14,20H,2H2,1H3
InChIKeyZNKQPGKXHRIGPX-UHFFFAOYSA-N
MW377.08 g/mol
LogP6.46
Rot. Bonds4

About 2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline

2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline (PubChem CID 107598199) has the molecular formula C15H13BrCl2FN and a molecular weight of 377.08 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline
PubChem CID107598199
Molecular FormulaC15H13BrCl2FN
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC Name2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline
SMILESCCC(Nc1c(F)cccc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2FN/c1-2-14(10-7-6-9(17)8-12(10)18)20-15-11(16)4-3-5-13(15)19/h3-8,14,20H,2H2,1H3
InChIKeyZNKQPGKXHRIGPX-UHFFFAOYSA-N
XLogP6.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
CID 65468515
N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
CID 82799478
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
CID 107527392
1-(2,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43503310
N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
CID 103585203
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline?
The IUPAC name of 2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline (CID 107598199) is 2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline?
The canonical SMILES for 2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline is CCC(Nc1c(F)cccc1Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline?
The InChIKey is ZNKQPGKXHRIGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FN/c1-2-14(10-7-6-9(17)8-12(10)18)20-15-11(16)4-3-5-13(15)19/h3-8,14,20H,2H2,1H3.
What are the key properties of 2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline?
2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline has a molecular weight of 377.08 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline is sourced from PubChem (CID 107598199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).