2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine

C16H18FNO2 — CID 62337852

IUPAC2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine
SMILESCCOc1cccc(OC(CN)c2ccccc2F)c1
InChIInChI=1S/C16H18FNO2/c1-2-19-12-6-5-7-13(10-12)20-16(11-18)14-8-3-4-9-15(14)17/h3-10,16H,2,11,18H2,1H3
InChIKeyIRRGCANDRBNZMM-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.30
Rot. Bonds6

About 2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine

2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine (PubChem CID 62337852) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine
PubChem CID62337852
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine
SMILESCCOc1cccc(OC(CN)c2ccccc2F)c1
InChIInChI=1S/C16H18FNO2/c1-2-19-12-6-5-7-13(10-12)20-16(11-18)14-8-3-4-9-15(14)17/h3-10,16H,2,11,18H2,1H3
InChIKeyIRRGCANDRBNZMM-UHFFFAOYSA-N
XLogP3.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62337853
2-(3-ethoxyphenoxy)-2-(furan-2-yl)ethanamine
CID 55060996
2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine
CID 62338444
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822
2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine
CID 104706806
2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine
CID 55019037
1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene
CID 141001002
2-(4-bromo-2-fluorophenoxy)-2-(2-fluorophenyl)ethanamine
CID 55019182
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
2-(3-ethoxyphenyl)-6-fluoroaniline
CID 107602864
2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine
CID 107097595
2-(2-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 55018888

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine (CID 62337852) is 2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine is CCOc1cccc(OC(CN)c2ccccc2F)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine?
The InChIKey is IRRGCANDRBNZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-2-19-12-6-5-7-13(10-12)20-16(11-18)14-8-3-4-9-15(14)17/h3-10,16H,2,11,18H2,1H3.
What are the key properties of 2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine?
2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 62337852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).