(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine

C15H15ClFNO — CID 78938414

IUPAC(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
SMILESCc1ccc(Oc2ccc(F)cc2[C@H](C)N)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-9-3-5-15(13(16)7-9)19-14-6-4-11(17)8-12(14)10(2)18/h3-8,10H,18H2,1-2H3/t10-/m0/s1
InChIKeyOJERWHLLRQVADJ-JTQLQIEISA-N
MW279.74 g/mol
LogP4.60
Rot. Bonds3

About (1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine

(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine (PubChem CID 78938414) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
PubChem CID78938414
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
SMILESCc1ccc(Oc2ccc(F)cc2[C@H](C)N)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-9-3-5-15(13(16)7-9)19-14-6-4-11(17)8-12(14)10(2)18/h3-8,10H,18H2,1-2H3/t10-/m0/s1
InChIKeyOJERWHLLRQVADJ-JTQLQIEISA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine
CID 106861888
(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine
CID 29275289
1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine
CID 43118097
1-[2-(2-chloro-4-methylphenoxy)-6-fluorophenyl]ethanamine
CID 62671655
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
(1S)-1-[2-(4-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 28971365
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 104940716
1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 63649355
1-[2-(2-fluoro-5-methylphenoxy)phenyl]ethanamine
CID 64855797
1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine
CID 112678472

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine (CID 78938414) is (1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine is Cc1ccc(Oc2ccc(F)cc2[C@H](C)N)c(Cl)c1.
What is the InChIKey of (1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is OJERWHLLRQVADJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-3-5-15(13(16)7-9)19-14-6-4-11(17)8-12(14)10(2)18/h3-8,10H,18H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine?
(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 78938414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).