N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline

C15H12Cl2F3N — CID 43503301

IUPACN-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
SMILESCCC(Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2F3N/c1-2-12(9-4-3-8(16)7-10(9)17)21-13-6-5-11(18)14(19)15(13)20/h3-7,12,21H,2H2,1H3
InChIKeyWMFDCZATVYVXSS-UHFFFAOYSA-N
MW334.17 g/mol
LogP5.97
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline

N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline (PubChem CID 43503301) has the molecular formula C15H12Cl2F3N and a molecular weight of 334.17 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
PubChem CID43503301
Molecular FormulaC15H12Cl2F3N
Molecular Weight334.17 g/mol
Exact Mass333.03
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
SMILESCCC(Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2F3N/c1-2-12(9-4-3-8(16)7-10(9)17)21-13-6-5-11(18)14(19)15(13)20/h3-7,12,21H,2H2,1H3
InChIKeyWMFDCZATVYVXSS-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.17
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
CID 82799478
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
CID 107527392
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
CID 103585203
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline
CID 63445541
4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
CID 65468515
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline
CID 107598199
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43759509

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline (CID 43503301) is N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline is CCC(Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline?
The InChIKey is WMFDCZATVYVXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N/c1-2-12(9-4-3-8(16)7-10(9)17)21-13-6-5-11(18)14(19)15(13)20/h3-7,12,21H,2H2,1H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline?
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline has a molecular weight of 334.17 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline is sourced from PubChem (CID 43503301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).