2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine

C14H13ClFNO — CID 55238754

IUPAC2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1Oc1cccc(F)c1
InChIInChI=1S/C14H13ClFNO/c15-13-5-2-6-14(12(13)7-8-17)18-11-4-1-3-10(16)9-11/h1-6,9H,7-8,17H2
InChIKeyOKVTZDPGUQZIGN-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.77
Rot. Bonds4

About 2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine

2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine (PubChem CID 55238754) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
PubChem CID55238754
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1Oc1cccc(F)c1
InChIInChI=1S/C14H13ClFNO/c15-13-5-2-6-14(12(13)7-8-17)18-11-4-1-3-10(16)9-11/h1-6,9H,7-8,17H2
InChIKeyOKVTZDPGUQZIGN-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63941559
2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
CID 63816618
2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
CID 63815236
2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533549
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine
CID 114066145
4-(2-chlorophenyl)-3-(3-fluorophenoxy)aniline
CID 123431016
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385374

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine (CID 55238754) is 2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine is NCCc1c(Cl)cccc1Oc1cccc(F)c1.
What is the InChIKey of 2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine?
The InChIKey is OKVTZDPGUQZIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-13-5-2-6-14(12(13)7-8-17)18-11-4-1-3-10(16)9-11/h1-6,9H,7-8,17H2.
What are the key properties of 2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine?
2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine has a molecular weight of 265.72 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 55238754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).