1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine

C14H22FNO3 — CID 107715807

IUPAC1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
SMILESCOCCOCCCOc1ccc(C(C)N)c(F)c1
InChIInChI=1S/C14H22FNO3/c1-11(16)13-5-4-12(10-14(13)15)19-7-3-6-18-9-8-17-2/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyODOJMRFMFWIYOB-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.28
Rot. Bonds9

About 1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine

1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine (PubChem CID 107715807) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
PubChem CID107715807
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
SMILESCOCCOCCCOc1ccc(C(C)N)c(F)c1
InChIInChI=1S/C14H22FNO3/c1-11(16)13-5-4-12(10-14(13)15)19-7-3-6-18-9-8-17-2/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyODOJMRFMFWIYOB-UHFFFAOYSA-N
XLogP2.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.28
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

(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 107718203
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
4-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]butanenitrile
CID 107718107
(1R)-1-[4-(4,4-dimethylpentoxy)-2-fluorophenyl]ethanamine
CID 114209341
(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 107718696
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
CID 107718953
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine (CID 107715807) is 1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine is COCCOCCCOc1ccc(C(C)N)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The InChIKey is ODOJMRFMFWIYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-11(16)13-5-4-12(10-14(13)15)19-7-3-6-18-9-8-17-2/h4-5,10-11H,3,6-9,16H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine has a molecular weight of 271.33 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine is sourced from PubChem (CID 107715807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).