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

C14H12Cl2FNO — CID 63369876

IUPAC(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-8(18)14-12(17)3-2-4-13(14)19-9-5-6-10(15)11(16)7-9/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyKFMUDVDUQXQISK-MRVPVSSYSA-N
MW300.16 g/mol
LogP4.94
Rot. Bonds3

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

(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine (PubChem CID 63369876) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is (1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
PubChem CID63369876
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-8(18)14-12(17)3-2-4-13(14)19-9-5-6-10(15)11(16)7-9/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyKFMUDVDUQXQISK-MRVPVSSYSA-N
XLogP4.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine
CID 63532581
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109317
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 55183896
1-[2-(2-chloro-4-methylphenoxy)-6-fluorophenyl]ethanamine
CID 62671655
1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
CID 43188982
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine (CID 63369876) is (1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine is C[C@@H](N)c1c(F)cccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine?
The InChIKey is KFMUDVDUQXQISK-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-8(18)14-12(17)3-2-4-13(14)19-9-5-6-10(15)11(16)7-9/h2-8H,18H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine?
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine has a molecular weight of 300.16 g/mol, XLogP of 4.94, 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-dichlorophenoxy)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 63369876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).