2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline

C15H14Cl2FN — CID 43107911

IUPAC2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCC(Nc1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H14Cl2FN/c1-2-13(10-6-8-11(18)9-7-10)19-14-5-3-4-12(16)15(14)17/h3-9,13,19H,2H2,1H3
InChIKeyOVZVNAADHMOWTN-UHFFFAOYSA-N
MW298.19 g/mol
LogP5.70
Rot. Bonds4

About 2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline

2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline (PubChem CID 43107911) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline
PubChem CID43107911
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCC(Nc1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H14Cl2FN/c1-2-13(10-6-8-11(18)9-7-10)19-14-5-3-4-12(16)15(14)17/h3-9,13,19H,2H2,1H3
InChIKeyOVZVNAADHMOWTN-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline?
The IUPAC name of 2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline (CID 43107911) is 2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline is CCC(Nc1cccc(Cl)c1Cl)c1ccc(F)cc1.
What is the InChIKey of 2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline?
The InChIKey is OVZVNAADHMOWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-2-13(10-6-8-11(18)9-7-10)19-14-5-3-4-12(16)15(14)17/h3-9,13,19H,2H2,1H3.
What are the key properties of 2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline?
2,3-dichloro-N-[1-(4-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 2,3-dichloro-N-[1-(4-fluorophenyl)propyl]aniline is sourced from PubChem (CID 43107911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).