2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine

C14H22FNO3 — CID 103401296

IUPAC2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine
SMILESCOCCOCCCOC(CN)c1ccccc1F
InChIInChI=1S/C14H22FNO3/c1-17-9-10-18-7-4-8-19-14(11-16)12-5-2-3-6-13(12)15/h2-3,5-6,14H,4,7-11,16H2,1H3
InChIKeyQAUQLXJLOZXJDI-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.90
Rot. Bonds10

About 2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine

2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine (PubChem CID 103401296) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine
PubChem CID103401296
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine
SMILESCOCCOCCCOC(CN)c1ccccc1F
InChIInChI=1S/C14H22FNO3/c1-17-9-10-18-7-4-8-19-14(11-16)12-5-2-3-6-13(12)15/h2-3,5-6,14H,4,7-11,16H2,1H3
InChIKeyQAUQLXJLOZXJDI-UHFFFAOYSA-N
XLogP1.90
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405175
2-(2-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 55018888
2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine
CID 103401308
N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62108236
2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103176974
1-chloro-2-[2-iodo-1-[3-(2-methoxyethoxy)propoxy]ethyl]benzene
CID 103405085
2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine
CID 82004110
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63934056
2-(2-fluorophenyl)-6-methoxyhexan-1-amine
CID 104649507
1-[2-bromo-1-(2-propoxyethoxy)ethyl]-2-fluorobenzene
CID 63684700
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine (CID 103401296) is 2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine is COCCOCCCOC(CN)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine?
The InChIKey is QAUQLXJLOZXJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-17-9-10-18-7-4-8-19-14(11-16)12-5-2-3-6-13(12)15/h2-3,5-6,14H,4,7-11,16H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine?
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine has a molecular weight of 271.33 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine is sourced from PubChem (CID 103401296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).