2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine

C16H18FNO2 — CID 63817515

IUPAC2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
SMILESCCOc1ccccc1Oc1ccc(CCN)cc1F
InChIInChI=1S/C16H18FNO2/c1-2-19-15-5-3-4-6-16(15)20-14-8-7-12(9-10-18)11-13(14)17/h3-8,11H,2,9-10,18H2,1H3
InChIKeyTZGCJTCJATWVDQ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.52
Rot. Bonds6

About 2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine

2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine (PubChem CID 63817515) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
PubChem CID63817515
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
SMILESCCOc1ccccc1Oc1ccc(CCN)cc1F
InChIInChI=1S/C16H18FNO2/c1-2-19-15-5-3-4-6-16(15)20-14-8-7-12(9-10-18)11-13(14)17/h3-8,11H,2,9-10,18H2,1H3
InChIKeyTZGCJTCJATWVDQ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
CID 28966043
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937
2-[3-(2-fluorophenoxy)-4-methylphenyl]ethanamine
CID 105410974
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 63802270
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519
5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
CID 116925225

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine (CID 63817515) is 2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine is CCOc1ccccc1Oc1ccc(CCN)cc1F.
What is the InChIKey of 2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine?
The InChIKey is TZGCJTCJATWVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-2-19-15-5-3-4-6-16(15)20-14-8-7-12(9-10-18)11-13(14)17/h3-8,11H,2,9-10,18H2,1H3.
What are the key properties of 2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine?
2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 63817515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).