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

C14H13ClFNO — CID 82716269

IUPAC1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
SMILESCC(N)c1cccc(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C14H13ClFNO/c1-9(17)10-3-2-4-11(7-10)18-12-5-6-13(15)14(16)8-12/h2-9H,17H2,1H3
InChIKeyKHRGTSPKIOPURU-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.29
Rot. Bonds3

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

1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine (PubChem CID 82716269) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
PubChem CID82716269
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
SMILESCC(N)c1cccc(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C14H13ClFNO/c1-9(17)10-3-2-4-11(7-10)18-12-5-6-13(15)14(16)8-12/h2-9H,17H2,1H3
InChIKeyKHRGTSPKIOPURU-UHFFFAOYSA-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

(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 79020482
1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
CID 91481927
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene
CID 121472039
1-[3-(4-chloro-3-fluorophenoxy)phenyl]butan-2-amine
CID 82727397
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 55183896
1-[3-(2-fluoro-5-methylphenoxy)phenyl]ethanamine
CID 79167584
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615235

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine (CID 82716269) is 1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine is CC(N)c1cccc(Oc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine?
The InChIKey is KHRGTSPKIOPURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9(17)10-3-2-4-11(7-10)18-12-5-6-13(15)14(16)8-12/h2-9H,17H2,1H3.
What are the key properties of 1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine?
1-[3-(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 1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 82716269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).