2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine

C17H20FNO2 — CID 39392014

IUPAC2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCCOc1ccccc1OCCNCc1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-2-20-16-5-3-4-6-17(16)21-12-11-19-13-14-7-9-15(18)10-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyUJHXGZILCQTSOL-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.39
Rot. Bonds8

About 2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine

2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 39392014) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID39392014
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCCOc1ccccc1OCCNCc1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-2-20-16-5-3-4-6-17(16)21-12-11-19-13-14-7-9-15(18)10-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyUJHXGZILCQTSOL-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39362846
2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 68827135
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride
CID 171151385
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine;oxalic acid
CID 2922259
N-benzyl-2-(2,5-difluorophenoxy)ethanamine
CID 63273196
N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106010953
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine (CID 39392014) is 2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine is CCOc1ccccc1OCCNCc1ccc(F)cc1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is UJHXGZILCQTSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-20-16-5-3-4-6-17(16)21-12-11-19-13-14-7-9-15(18)10-8-14/h3-10,19H,2,11-13H2,1H3.
What are the key properties of 2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 39392014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).