(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine

C16H17ClFNO — CID 63532581

IUPAC(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine
SMILESCCc1cc(Oc2cccc(F)c2[C@@H](C)N)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-11-9-12(7-8-13(11)17)20-15-6-4-5-14(18)16(15)10(2)19/h4-10H,3,19H2,1-2H3/t10-/m1/s1
InChIKeyLSICYVFFPVJQRI-SNVBAGLBSA-N
MW293.77 g/mol
LogP4.85
Rot. Bonds4

About (1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine

(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine (PubChem CID 63532581) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is (1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine
PubChem CID63532581
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine
SMILESCCc1cc(Oc2cccc(F)c2[C@@H](C)N)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-11-9-12(7-8-13(11)17)20-15-6-4-5-14(18)16(15)10(2)19/h4-10H,3,19H2,1-2H3/t10-/m1/s1
InChIKeyLSICYVFFPVJQRI-SNVBAGLBSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine
CID 43247772
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone
CID 43247767
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361
1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
CID 43188982
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109317
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine (CID 63532581) is (1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine is CCc1cc(Oc2cccc(F)c2[C@@H](C)N)ccc1Cl.
What is the InChIKey of (1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine?
The InChIKey is LSICYVFFPVJQRI-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-11-9-12(7-8-13(11)17)20-15-6-4-5-14(18)16(15)10(2)19/h4-10H,3,19H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine?
(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 63532581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).