2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline

C15H14Cl2FN — CID 112676843

IUPAC2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(Cl)cc1Cl)c1ccccc1F
InChIInChI=1S/C15H14Cl2FN/c1-2-14(11-5-3-4-6-13(11)18)19-15-8-7-10(16)9-12(15)17/h3-9,14,19H,2H2,1H3
InChIKeyMZASDBJIPZJBBI-UHFFFAOYSA-N
MW298.19 g/mol
LogP5.70
Rot. Bonds4

About 2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline

2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline (PubChem CID 112676843) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
PubChem CID112676843
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(Cl)cc1Cl)c1ccccc1F
InChIInChI=1S/C15H14Cl2FN/c1-2-14(11-5-3-4-6-13(11)18)19-15-8-7-10(16)9-12(15)17/h3-9,14,19H,2H2,1H3
InChIKeyMZASDBJIPZJBBI-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.19
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
CID 43150463
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
2-bromo-5-chloro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 104722764
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773957
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline
CID 63445541

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline?
The IUPAC name of 2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline (CID 112676843) is 2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline is CCC(Nc1ccc(Cl)cc1Cl)c1ccccc1F.
What is the InChIKey of 2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline?
The InChIKey is MZASDBJIPZJBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-2-14(11-5-3-4-6-13(11)18)19-15-8-7-10(16)9-12(15)17/h3-9,14,19H,2H2,1H3.
What are the key properties of 2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline?
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline has a molecular weight of 298.19 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline is sourced from PubChem (CID 112676843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).