1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine

C15H24FNO2 — CID 43285770

IUPAC1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
SMILESCCCCOCCOc1ccc(F)cc1C(C)NC
InChIInChI=1S/C15H24FNO2/c1-4-5-8-18-9-10-19-15-7-6-13(16)11-14(15)12(2)17-3/h6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyQEAOFMSLBULQAR-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.30
Rot. Bonds9

About 1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine

1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine (PubChem CID 43285770) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
PubChem CID43285770
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
SMILESCCCCOCCOc1ccc(F)cc1C(C)NC
InChIInChI=1S/C15H24FNO2/c1-4-5-8-18-9-10-19-15-7-6-13(16)11-14(15)12(2)17-3/h6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyQEAOFMSLBULQAR-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.30
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

1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
CID 43286049
(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
CID 29003282
N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103177883
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682
1-[4-bromo-2-(2-butoxyethoxy)phenyl]-N-methylethanamine
CID 82976374
1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine
CID 107006250
N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 61483064
1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine
CID 103177693
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine (CID 43285770) is 1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine is CCCCOCCOc1ccc(F)cc1C(C)NC.
What is the InChIKey of 1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine?
The InChIKey is QEAOFMSLBULQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-4-5-8-18-9-10-19-15-7-6-13(16)11-14(15)12(2)17-3/h6-7,11-12,17H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine?
1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine has a molecular weight of 269.36 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43285770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).