2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine

C14H12Cl2FNO — CID 114862601

IUPAC2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-10-1-3-13(9(7-10)5-6-18)19-14-4-2-11(17)8-12(14)16/h1-4,7-8H,5-6,18H2
InChIKeyJMANUJHKKUEPLU-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.43
Rot. Bonds4

About 2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine

2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine (PubChem CID 114862601) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
PubChem CID114862601
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-10-1-3-13(9(7-10)5-6-18)19-14-4-2-11(17)8-12(14)16/h1-4,7-8H,5-6,18H2
InChIKeyJMANUJHKKUEPLU-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114863369
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
2-[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]ethanamine
CID 115464688
3-chloro-4-(2,5-difluorophenoxy)aniline
CID 63268649
2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
CID 63815572
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401
2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63941559
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
CID 63802635
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
1-[2-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine (CID 114862601) is 2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine is NCCc1cc(Cl)ccc1Oc1ccc(F)cc1Cl.
What is the InChIKey of 2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine?
The InChIKey is JMANUJHKKUEPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-10-1-3-13(9(7-10)5-6-18)19-14-4-2-11(17)8-12(14)16/h1-4,7-8H,5-6,18H2.
What are the key properties of 2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine?
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine has a molecular weight of 300.16 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 114862601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).