2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine

C14H22FNO3 — CID 103411599

IUPAC2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
SMILESCOCCOCCCOc1cc(F)cc(CCN)c1
InChIInChI=1S/C14H22FNO3/c1-17-7-8-18-5-2-6-19-14-10-12(3-4-16)9-13(15)11-14/h9-11H,2-8,16H2,1H3
InChIKeyUUWUMKDGTZTAEA-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.76
Rot. Bonds10

About 2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine

2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine (PubChem CID 103411599) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
PubChem CID103411599
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
SMILESCOCCOCCCOc1cc(F)cc(CCN)c1
InChIInChI=1S/C14H22FNO3/c1-17-7-8-18-5-2-6-19-14-10-12(3-4-16)9-13(15)11-14/h9-11H,2-8,16H2,1H3
InChIKeyUUWUMKDGTZTAEA-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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

N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 103178014
3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol
CID 174673991
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
CID 103406557
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 107692822
4-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]but-3-yn-1-ol
CID 103411409
1-[2-(3,5-difluorophenyl)ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405629
1-(3-chloroprop-1-ynyl)-3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103181821
2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine
CID 79888054
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine (CID 103411599) is 2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine is COCCOCCCOc1cc(F)cc(CCN)c1.
What is the InChIKey of 2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The InChIKey is UUWUMKDGTZTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-17-7-8-18-5-2-6-19-14-10-12(3-4-16)9-13(15)11-14/h9-11H,2-8,16H2,1H3.
What are the key properties of 2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine has a molecular weight of 271.33 g/mol, XLogP of 1.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine is sourced from PubChem (CID 103411599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).