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

C14H12Cl2FNO — CID 55183896

IUPAC(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c1-8(18)9-2-5-14(13(17)6-9)19-10-3-4-11(15)12(16)7-10/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyDPCFBKDIDVFOSF-MRVPVSSYSA-N
MW300.16 g/mol
LogP4.94
Rot. Bonds3

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

(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine (PubChem CID 55183896) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is (1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
PubChem CID55183896
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c1-8(18)9-2-5-14(13(17)6-9)19-10-3-4-11(15)12(16)7-10/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyDPCFBKDIDVFOSF-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

1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine
CID 43247772
1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 43189188
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 65200927
(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 79004867
(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667
1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 43106357
(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 79020482
(1S)-1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanamine
CID 107724826
3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 63369861
3-[4-(1-aminoethyl)-2-fluorophenoxy]-N,N-dimethylaniline
CID 61229681
3-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 78938248

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine (CID 55183896) is (1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine is C[C@@H](N)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1.
What is the InChIKey of (1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine?
The InChIKey is DPCFBKDIDVFOSF-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-8(18)9-2-5-14(13(17)6-9)19-10-3-4-11(15)12(16)7-10/h2-8H,18H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine?
(1R)-1-[4-(3,4-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 (1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 55183896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).