2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine

C14H11Cl3FN — CID 102622560

IUPAC2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl3FN/c15-9-1-3-13(17)11(7-9)14(19)6-8-5-10(18)2-4-12(8)16/h1-5,7,14H,6,19H2
InChIKeyGGVARNKQNKHJSK-UHFFFAOYSA-N
MW318.61 g/mol
LogP5.03
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine

2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 102622560) has the molecular formula C14H11Cl3FN and a molecular weight of 318.61 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
PubChem CID102622560
Molecular FormulaC14H11Cl3FN
Molecular Weight318.61 g/mol
Exact Mass316.99
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl3FN/c15-9-1-3-13(17)11(7-9)14(19)6-8-5-10(18)2-4-12(8)16/h1-5,7,14H,6,19H2
InChIKeyGGVARNKQNKHJSK-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.61
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 102618763
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 102622579
2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 102622535
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 102622472

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine (CID 102622560) is 2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine is NC(Cc1cc(F)ccc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is GGVARNKQNKHJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN/c15-9-1-3-13(17)11(7-9)14(19)6-8-5-10(18)2-4-12(8)16/h1-5,7,14H,6,19H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine has a molecular weight of 318.61 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 102622560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).