4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline

C15H13BrCl3N — CID 107618733

IUPAC4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl3N/c1-2-15(11-5-3-9(17)7-13(11)18)20-10-4-6-12(16)14(19)8-10/h3-8,15,20H,2H2,1H3
InChIKeyBXDDSCIJZFNYDA-UHFFFAOYSA-N
MW393.54 g/mol
LogP6.97
Rot. Bonds4

About 4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline

4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline (PubChem CID 107618733) has the molecular formula C15H13BrCl3N and a molecular weight of 393.54 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
PubChem CID107618733
Molecular FormulaC15H13BrCl3N
Molecular Weight393.54 g/mol
Exact Mass390.93
IUPAC Name4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl3N/c1-2-15(11-5-3-9(17)7-13(11)18)20-10-4-6-12(16)14(19)8-10/h3-8,15,20H,2H2,1H3
InChIKeyBXDDSCIJZFNYDA-UHFFFAOYSA-N
XLogP6.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.54
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
CID 43503453
4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
CID 65468515
2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline
CID 107598199

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline?
The IUPAC name of 4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline (CID 107618733) is 4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline?
The canonical SMILES for 4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline is CCC(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline?
The InChIKey is BXDDSCIJZFNYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl3N/c1-2-15(11-5-3-9(17)7-13(11)18)20-10-4-6-12(16)14(19)8-10/h3-8,15,20H,2H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline?
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline has a molecular weight of 393.54 g/mol, XLogP of 6.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline is sourced from PubChem (CID 107618733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).