(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine

C14H13ClFNO — CID 79020482

IUPAC(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C14H13ClFNO/c1-9(17)10-2-4-11(5-3-10)18-12-6-7-13(15)14(16)8-12/h2-9H,17H2,1H3/t9-/m1/s1
InChIKeyMPOZHOQRIBCFJR-SECBINFHSA-N
MW265.72 g/mol
LogP4.29
Rot. Bonds3

About (1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine

(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine (PubChem CID 79020482) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is (1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
PubChem CID79020482
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C14H13ClFNO/c1-9(17)10-2-4-11(5-3-10)18-12-6-7-13(15)14(16)8-12/h2-9H,17H2,1H3/t9-/m1/s1
InChIKeyMPOZHOQRIBCFJR-SECBINFHSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 82716269
(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 83235043
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 55183896
(1S)-1-[4-(3-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370009
(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 63369920
(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 79004867
1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
CID 82727101
1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 65200927
1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine
CID 43247772
1-(4-bromophenyl)-1-(4-chloro-3-fluorophenoxy)propan-2-amine
CID 82716945
1-[2-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169559

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine (CID 79020482) is (1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(Oc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of (1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine?
The InChIKey is MPOZHOQRIBCFJR-SECBINFHSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9(17)10-2-4-11(5-3-10)18-12-6-7-13(15)14(16)8-12/h2-9H,17H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine?
(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine has a molecular weight of 265.72 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 79020482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).