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

C14H12Cl2FNO — CID 43106357

IUPAC1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(Oc2cccc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c1-8(18)9-5-6-12(11(17)7-9)19-13-4-2-3-10(15)14(13)16/h2-8H,18H2,1H3
InChIKeyBRCOBVXNHFHZIR-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.94
Rot. Bonds3

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

1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine (PubChem CID 43106357) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine
PubChem CID43106357
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(Oc2cccc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c1-8(18)9-5-6-12(11(17)7-9)19-13-4-2-3-10(15)14(13)16/h2-8H,18H2,1H3
InChIKeyBRCOBVXNHFHZIR-UHFFFAOYSA-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-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151
1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine
CID 63037472
(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 55183896
1-[4-(2-tert-butylphenoxy)-3-fluorophenyl]ethanamine
CID 43103758
(1S)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanol
CID 104892683
1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 43189188
(1R)-1-[4-(2-butan-2-ylphenoxy)-3-fluorophenyl]ethanamine
CID 63369801
(1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine
CID 63370152
(1S)-1-[3-fluoro-4-(3-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937884
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine (CID 43106357) is 1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine is CC(N)c1ccc(Oc2cccc(Cl)c2Cl)c(F)c1.
What is the InChIKey of 1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine?
The InChIKey is BRCOBVXNHFHZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-8(18)9-5-6-12(11(17)7-9)19-13-4-2-3-10(15)14(13)16/h2-8H,18H2,1H3.
What are the key properties of 1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine?
1-[4-(2,3-dichlorophenoxy)-3-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 1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 43106357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).