2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine

C11H16FNO2 — CID 107692598

IUPAC2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
SMILESCOCCOc1ccc(CCN)cc1F
InChIInChI=1S/C11H16FNO2/c1-14-6-7-15-11-3-2-9(4-5-13)8-10(11)12/h2-3,8H,4-7,13H2,1H3
InChIKeyWHECGFRHZIINNP-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.35
Rot. Bonds6

About 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine

2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine (PubChem CID 107692598) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
PubChem CID107692598
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
SMILESCOCCOc1ccc(CCN)cc1F
InChIInChI=1S/C11H16FNO2/c1-14-6-7-15-11-3-2-9(4-5-13)8-10(11)12/h2-3,8H,4-7,13H2,1H3
InChIKeyWHECGFRHZIINNP-UHFFFAOYSA-N
XLogP1.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.35
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-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 107692822
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701
2-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 107692637
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid
CID 154827727
ethyl 6-[4-(2-aminoethyl)-2-fluorophenoxy]hexanoate
CID 107692722
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 107692680
2-[3-fluoro-4-(2-phenylsulfanylethoxy)phenyl]ethanamine
CID 107692627
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
5-[3-bromo-4-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 113438566
ethyl 3-[4-(2-aminoethoxy)-3-fluorophenyl]propanoate;hydrochloride
CID 164576661
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine (CID 107692598) is 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine is COCCOc1ccc(CCN)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine?
The InChIKey is WHECGFRHZIINNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-6-7-15-11-3-2-9(4-5-13)8-10(11)12/h2-3,8H,4-7,13H2,1H3.
What are the key properties of 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine?
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine has a molecular weight of 213.25 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 107692598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).