2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine

C14H13ClFNO — CID 63941559

IUPAC2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1cccc(Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H13ClFNO/c15-13-9-11(16)4-5-14(13)18-12-3-1-2-10(8-12)6-7-17/h1-5,8-9H,6-7,17H2
InChIKeyHEXHOGLYQSZDAP-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.77
Rot. Bonds4

About 2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine

2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine (PubChem CID 63941559) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
PubChem CID63941559
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1cccc(Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H13ClFNO/c15-13-9-11(16)4-5-14(13)18-12-3-1-2-10(8-12)6-7-17/h1-5,8-9H,6-7,17H2
InChIKeyHEXHOGLYQSZDAP-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-[3-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63942549
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 55238754
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533549
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
2-[3-(2-iodophenoxy)phenyl]ethanamine
CID 63941765
2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 63942155
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine (CID 63941559) is 2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine is NCCc1cccc(Oc2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine?
The InChIKey is HEXHOGLYQSZDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-13-9-11(16)4-5-14(13)18-12-3-1-2-10(8-12)6-7-17/h1-5,8-9H,6-7,17H2.
What are the key properties of 2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine?
2-[3-(2-chloro-4-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-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63941559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).