1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine

C15H14Cl2FN — CID 54933232

IUPAC1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-9-4-3-5-10(6-9)15(2,19)11-7-14(18)13(17)8-12(11)16/h3-8H,19H2,1-2H3
InChIKeyNCXUFASLOLVJOE-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.66
Rot. Bonds2

About 1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine

1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine (PubChem CID 54933232) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine
PubChem CID54933232
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-9-4-3-5-10(6-9)15(2,19)11-7-14(18)13(17)8-12(11)16/h3-8H,19H2,1-2H3
InChIKeyNCXUFASLOLVJOE-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.66
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-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine (CID 54933232) is 1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine is Cc1cccc(C(C)(N)c2cc(F)c(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine?
The InChIKey is NCXUFASLOLVJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-9-4-3-5-10(6-9)15(2,19)11-7-14(18)13(17)8-12(11)16/h3-8H,19H2,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine?
1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 54933232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).