2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine

C15H15ClFNO2 — CID 69464363

IUPAC2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)c(Oc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-12-4-2-10(6-7-18)15(9-12)20-14-5-3-11(16)8-13(14)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyUOZKSPUPDMXAEN-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.78
Rot. Bonds5

About 2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine

2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine (PubChem CID 69464363) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine
PubChem CID69464363
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)c(Oc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-12-4-2-10(6-7-18)15(9-12)20-14-5-3-11(16)8-13(14)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyUOZKSPUPDMXAEN-UHFFFAOYSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 61268017
[4-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 114856709
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716456
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236
[2-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60878519

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine?
The IUPAC name of 2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine (CID 69464363) is 2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine is COc1ccc(CCN)c(Oc2ccc(Cl)cc2F)c1.
What is the InChIKey of 2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine?
The InChIKey is UOZKSPUPDMXAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-12-4-2-10(6-7-18)15(9-12)20-14-5-3-11(16)8-13(14)17/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine?
2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine has a molecular weight of 295.74 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 69464363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).