2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine

C17H20FNO2 — CID 60697587

IUPAC2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
SMILESCOc1ccc(OCCNCCc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO2/c1-20-16-5-7-17(8-6-16)21-12-11-19-10-9-14-3-2-4-15(18)13-14/h2-8,13,19H,9-12H2,1H3
InChIKeyBRTZMNJCSNWAAT-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.05
Rot. Bonds8

About 2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine

2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine (PubChem CID 60697587) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
PubChem CID60697587
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
SMILESCOc1ccc(OCCNCCc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO2/c1-20-16-5-7-17(8-6-16)21-12-11-19-10-9-14-3-2-4-15(18)13-14/h2-8,13,19H,9-12H2,1H3
InChIKeyBRTZMNJCSNWAAT-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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

3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide
CID 70509811
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
CID 58276651
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111409989
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111409988
N-[2-(4-bromophenoxy)ethyl]-2-(3-methylphenyl)ethanamine
CID 63492781
N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine
CID 114600378
5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide
CID 58276289
N-[2-(3-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43565900
5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride
CID 67163111
2-[3-[2-[3-(4-methoxyphenoxy)propylamino]ethyl]phenoxy]butanoic acid
CID 70806499

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine (CID 60697587) is 2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine is COc1ccc(OCCNCCc2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine?
The InChIKey is BRTZMNJCSNWAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-20-16-5-7-17(8-6-16)21-12-11-19-10-9-14-3-2-4-15(18)13-14/h2-8,13,19H,9-12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine?
2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine is sourced from PubChem (CID 60697587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).