2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine

C15H24FNO2 — CID 107661426

IUPAC2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1cccc(C)c1F
InChIInChI=1S/C15H24FNO2/c1-3-4-10-18-11-8-17-9-12-19-14-7-5-6-13(2)15(14)16/h5-7,17H,3-4,8-12H2,1-2H3
InChIKeyBXIWGJUJYIIPHY-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.92
Rot. Bonds10

About 2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine

2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine (PubChem CID 107661426) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine
PubChem CID107661426
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1cccc(C)c1F
InChIInChI=1S/C15H24FNO2/c1-3-4-10-18-11-8-17-9-12-19-14-7-5-6-13(2)15(14)16/h5-7,17H,3-4,8-12H2,1-2H3
InChIKeyBXIWGJUJYIIPHY-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.92
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

2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 55088257
N-[2-(2-bromo-4-fluorophenoxy)ethyl]-2-butoxyethanamine
CID 62572554
N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine
CID 62597704
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
N-ethyl-2-[3-(2-methylphenoxy)propoxy]ethanamine
CID 82353873
N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 107661497
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 103175707
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62572262

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine (CID 107661426) is 2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine is CCCCOCCNCCOc1cccc(C)c1F.
What is the InChIKey of 2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine?
The InChIKey is BXIWGJUJYIIPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-3-4-10-18-11-8-17-9-12-19-14-7-5-6-13(2)15(14)16/h5-7,17H,3-4,8-12H2,1-2H3.
What are the key properties of 2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine?
2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine has a molecular weight of 269.36 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 107661426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).