(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine

C16H18FNO — CID 30058518

IUPAC(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
SMILESCc1ccc(Oc2cccc(F)c2[C@@H](C)N)cc1C
InChIInChI=1S/C16H18FNO/c1-10-7-8-13(9-11(10)2)19-15-6-4-5-14(17)16(15)12(3)18/h4-9,12H,18H2,1-3H3/t12-/m1/s1
InChIKeyZSEGUJBQPJGOMB-GFCCVEGCSA-N
MW259.32 g/mol
LogP4.25
Rot. Bonds3

About (1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine

(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine (PubChem CID 30058518) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
PubChem CID30058518
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
SMILESCc1ccc(Oc2cccc(F)c2[C@@H](C)N)cc1C
InChIInChI=1S/C16H18FNO/c1-10-7-8-13(9-11(10)2)19-15-6-4-5-14(17)16(15)12(3)18/h4-9,12H,18H2,1-3H3/t12-/m1/s1
InChIKeyZSEGUJBQPJGOMB-GFCCVEGCSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine
CID 61031032
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109317
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794
1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
CID 43188982
(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine
CID 63532581
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine (CID 30058518) is (1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine is Cc1ccc(Oc2cccc(F)c2[C@@H](C)N)cc1C.
What is the InChIKey of (1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine?
The InChIKey is ZSEGUJBQPJGOMB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FNO/c1-10-7-8-13(9-11(10)2)19-15-6-4-5-14(17)16(15)12(3)18/h4-9,12H,18H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine?
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 30058518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).