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

C14H12Cl2FN — CID 43105529

IUPAC2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1Cl)c1cccc(F)c1
InChIInChI=1S/C14H12Cl2FN/c1-9(10-4-2-5-11(17)8-10)18-13-7-3-6-12(15)14(13)16/h2-9,18H,1H3
InChIKeyRBTUURFEVPNZGT-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.31
Rot. Bonds3

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

2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline (PubChem CID 43105529) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
PubChem CID43105529
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1Cl)c1cccc(F)c1
InChIInChI=1S/C14H12Cl2FN/c1-9(10-4-2-5-11(17)8-10)18-13-7-3-6-12(15)14(13)16/h2-9,18H,1H3
InChIKeyRBTUURFEVPNZGT-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.16
LogP ≤ 55.31
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-(3-fluorophenyl)ethyl]aniline?
The IUPAC name of 2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline (CID 43105529) is 2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline is CC(Nc1cccc(Cl)c1Cl)c1cccc(F)c1.
What is the InChIKey of 2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline?
The InChIKey is RBTUURFEVPNZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9(10-4-2-5-11(17)8-10)18-13-7-3-6-12(15)14(13)16/h2-9,18H,1H3.
What are the key properties of 2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline?
2,3-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline has a molecular weight of 284.16 g/mol, XLogP of 5.31, 3 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-(3-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43105529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).