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

C14H12Cl2FN — CID 57186868

IUPAC2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline
SMILESFc1ccc(CCNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C14H12Cl2FN/c15-12-2-1-3-13(14(12)16)18-9-8-10-4-6-11(17)7-5-10/h1-7,18H,8-9H2
InChIKeyHTKARLMEGCAXPR-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.79
Rot. Bonds4

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

2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline (PubChem CID 57186868) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline
PubChem CID57186868
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline
SMILESFc1ccc(CCNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C14H12Cl2FN/c15-12-2-1-3-13(14(12)16)18-9-8-10-4-6-11(17)7-5-10/h1-7,18H,8-9H2
InChIKeyHTKARLMEGCAXPR-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.79
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-[2-(4-fluorophenyl)ethyl]aniline?
The IUPAC name of 2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline (CID 57186868) is 2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline is Fc1ccc(CCNc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline?
The InChIKey is HTKARLMEGCAXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c15-12-2-1-3-13(14(12)16)18-9-8-10-4-6-11(17)7-5-10/h1-7,18H,8-9H2.
What are the key properties of 2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline?
2,3-dichloro-N-[2-(4-fluorophenyl)ethyl]aniline has a molecular weight of 284.16 g/mol, XLogP of 4.79, 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-[2-(4-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 57186868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).