2-[3-(3,4-difluorophenoxy)phenyl]ethanamine

C14H13F2NO — CID 63941961

IUPAC2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
SMILESNCCc1cccc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2NO/c15-13-5-4-12(9-14(13)16)18-11-3-1-2-10(8-11)6-7-17/h1-5,8-9H,6-7,17H2
InChIKeyQBRPUHJNZIOULD-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.26
Rot. Bonds4

About 2-[3-(3,4-difluorophenoxy)phenyl]ethanamine

2-[3-(3,4-difluorophenoxy)phenyl]ethanamine (PubChem CID 63941961) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
PubChem CID63941961
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
SMILESNCCc1cccc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2NO/c15-13-5-4-12(9-14(13)16)18-11-3-1-2-10(8-11)6-7-17/h1-5,8-9H,6-7,17H2
InChIKeyQBRPUHJNZIOULD-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene
CID 25223173
2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533423
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 63942155
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83973683
2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63941559
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
2-[3-(2-iodophenoxy)phenyl]ethanamine
CID 63941765

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(3,4-difluorophenoxy)phenyl]ethanamine (CID 63941961) is 2-[3-(3,4-difluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(3,4-difluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(3,4-difluorophenoxy)phenyl]ethanamine is NCCc1cccc(Oc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-[3-(3,4-difluorophenoxy)phenyl]ethanamine?
The InChIKey is QBRPUHJNZIOULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-13-5-4-12(9-14(13)16)18-11-3-1-2-10(8-11)6-7-17/h1-5,8-9H,6-7,17H2.
What are the key properties of 2-[3-(3,4-difluorophenoxy)phenyl]ethanamine?
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine has a molecular weight of 249.26 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63941961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).