2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine

C14H12Cl2FN — CID 39233316

IUPAC2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine
SMILESNCCc1ccc(F)c(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2FN/c15-10-2-3-13(16)11(8-10)12-7-9(5-6-18)1-4-14(12)17/h1-4,7-8H,5-6,18H2
InChIKeyKYHYHLKPBXPRBB-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.30
Rot. Bonds3

About 2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine

2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine (PubChem CID 39233316) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine
PubChem CID39233316
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine
SMILESNCCc1ccc(F)c(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2FN/c15-10-2-3-13(16)11(8-10)12-7-9(5-6-18)1-4-14(12)17/h1-4,7-8H,5-6,18H2
InChIKeyKYHYHLKPBXPRBB-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine?
The IUPAC name of 2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine (CID 39233316) is 2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine?
The canonical SMILES for 2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine is NCCc1ccc(F)c(-c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine?
The InChIKey is KYHYHLKPBXPRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c15-10-2-3-13(16)11(8-10)12-7-9(5-6-18)1-4-14(12)17/h1-4,7-8H,5-6,18H2.
What are the key properties of 2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine?
2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine has a molecular weight of 284.16 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dichlorophenyl)-4-fluorophenyl]ethanamine is sourced from PubChem (CID 39233316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).