1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine

C14H10Cl4FN — CID 63408241

IUPAC1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESCC(N)(c1cc(Cl)ccc1Cl)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H10Cl4FN/c1-14(20,8-4-7(15)2-3-10(8)16)9-5-13(19)12(18)6-11(9)17/h2-6H,20H2,1H3
InChIKeyQEKPJAGFXVKSCX-UHFFFAOYSA-N
MW353.05 g/mol
LogP5.66
Rot. Bonds2

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

1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 63408241) has the molecular formula C14H10Cl4FN and a molecular weight of 353.05 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
PubChem CID63408241
Molecular FormulaC14H10Cl4FN
Molecular Weight353.05 g/mol
Exact Mass350.96
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESCC(N)(c1cc(Cl)ccc1Cl)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H10Cl4FN/c1-14(20,8-4-7(15)2-3-10(8)16)9-5-13(19)12(18)6-11(9)17/h2-6H,20H2,1H3
InChIKeyQEKPJAGFXVKSCX-UHFFFAOYSA-N
XLogP5.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.05
LogP ≤ 55.66
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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Related Compounds

1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963746
1-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylethanamine
CID 65100095
1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 82771424
1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 54933232
1-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanamine
CID 62787808
2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine
CID 60929261
2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine
CID 131580102
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene
CID 175360558
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 55186959
1-(2,4-dichloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62794899
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine (CID 63408241) is 1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine is CC(N)(c1cc(Cl)ccc1Cl)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is QEKPJAGFXVKSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4FN/c1-14(20,8-4-7(15)2-3-10(8)16)9-5-13(19)12(18)6-11(9)17/h2-6H,20H2,1H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine has a molecular weight of 353.05 g/mol, XLogP of 5.66, 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-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 63408241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).