2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine

C14H11Cl2F2NO — CID 63803798

IUPAC2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(Oc2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C14H11Cl2F2NO/c15-9-1-2-13(10(16)7-9)20-14-11(17)5-8(3-4-19)6-12(14)18/h1-2,5-7H,3-4,19H2
InChIKeyYIFYQDFJYWCUBN-UHFFFAOYSA-N
MW318.15 g/mol
LogP4.57
Rot. Bonds4

About 2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine

2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine (PubChem CID 63803798) has the molecular formula C14H11Cl2F2NO and a molecular weight of 318.15 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
PubChem CID63803798
Molecular FormulaC14H11Cl2F2NO
Molecular Weight318.15 g/mol
Exact Mass317.02
IUPAC Name2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(Oc2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C14H11Cl2F2NO/c15-9-1-2-13(10(16)7-9)20-14-11(17)5-8(3-4-19)6-12(14)18/h1-2,5-7H,3-4,19H2
InChIKeyYIFYQDFJYWCUBN-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077759
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816477
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666
4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286790
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 81160567
1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817670
2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine
CID 81160082
4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline
CID 54902948

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine (CID 63803798) is 2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine is NCCc1cc(F)c(Oc2ccc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of 2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine?
The InChIKey is YIFYQDFJYWCUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO/c15-9-1-2-13(10(16)7-9)20-14-11(17)5-8(3-4-19)6-12(14)18/h1-2,5-7H,3-4,19H2.
What are the key properties of 2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine?
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine has a molecular weight of 318.15 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 63803798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).