1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride

C14H13ClF3N — CID 168665288

IUPAC1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(-c2cc(F)c(F)cc2F)cc1.Cl
InChIInChI=1S/C14H12F3N.ClH/c1-8(18)9-2-4-10(5-3-9)11-6-13(16)14(17)7-12(11)15;/h2-8H,18H2,1H3;1H
InChIKeyUZTIUOOBUGTUCD-UHFFFAOYSA-N
MW287.71 g/mol
LogP4.21
Rot. Bonds2

About 1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride

1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride (PubChem CID 168665288) has the molecular formula C14H13ClF3N and a molecular weight of 287.71 g/mol. Its IUPAC name is 1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride
PubChem CID168665288
Molecular FormulaC14H13ClF3N
Molecular Weight287.71 g/mol
Exact Mass287.07
IUPAC Name1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(-c2cc(F)c(F)cc2F)cc1.Cl
InChIInChI=1S/C14H12F3N.ClH/c1-8(18)9-2-4-10(5-3-9)11-6-13(16)14(17)7-12(11)15;/h2-8H,18H2,1H3;1H
InChIKeyUZTIUOOBUGTUCD-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride (CID 168665288) is 1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride is CC(N)c1ccc(-c2cc(F)c(F)cc2F)cc1.Cl.
What is the InChIKey of 1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride?
The InChIKey is UZTIUOOBUGTUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N.ClH/c1-8(18)9-2-4-10(5-3-9)11-6-13(16)14(17)7-12(11)15;/h2-8H,18H2,1H3;1H.
What are the key properties of 1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride?
1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride has a molecular weight of 287.71 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 168665288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).