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

C15H24FNO4 — CID 107692822

IUPAC2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
SMILESCOCCOCCOCCOc1ccc(CCN)cc1F
InChIInChI=1S/C15H24FNO4/c1-18-6-7-19-8-9-20-10-11-21-15-3-2-13(4-5-17)12-14(15)16/h2-3,12H,4-11,17H2,1H3
InChIKeyMNIMZPLSSWCILJ-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.39
Rot. Bonds12

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

2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine (PubChem CID 107692822) has the molecular formula C15H24FNO4 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
PubChem CID107692822
Molecular FormulaC15H24FNO4
Molecular Weight301.36 g/mol
Exact Mass301.17
IUPAC Name2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
SMILESCOCCOCCOCCOc1ccc(CCN)cc1F
InChIInChI=1S/C15H24FNO4/c1-18-6-7-19-8-9-20-10-11-21-15-3-2-13(4-5-17)12-14(15)16/h2-3,12H,4-11,17H2,1H3
InChIKeyMNIMZPLSSWCILJ-UHFFFAOYSA-N
XLogP1.39
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701
4-(bromomethyl)-2-fluoro-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 107691568
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 107693186
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107688280
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
2-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 107692637
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid
CID 154827727
3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561789
3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal
CID 176954781
ethyl 6-[4-(2-aminoethyl)-2-fluorophenoxy]hexanoate
CID 107692722

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine (CID 107692822) is 2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine is COCCOCCOCCOc1ccc(CCN)cc1F.
What is the InChIKey of 2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
The InChIKey is MNIMZPLSSWCILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO4/c1-18-6-7-19-8-9-20-10-11-21-15-3-2-13(4-5-17)12-14(15)16/h2-3,12H,4-11,17H2,1H3.
What are the key properties of 2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine has a molecular weight of 301.36 g/mol, XLogP of 1.39, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 107692822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).