2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine

C14H21F2NO2 — CID 55088257

IUPAC2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO2/c1-2-3-8-18-9-6-17-7-10-19-14-5-4-12(15)11-13(14)16/h4-5,11,17H,2-3,6-10H2,1H3
InChIKeyBUKMLXYKVZYUES-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.75
Rot. Bonds10

About 2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine

2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine (PubChem CID 55088257) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
PubChem CID55088257
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO2/c1-2-3-8-18-9-6-17-7-10-19-14-5-4-12(15)11-13(14)16/h4-5,11,17H,2-3,6-10H2,1H3
InChIKeyBUKMLXYKVZYUES-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.75
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

N-[2-(2-bromo-4-fluorophenoxy)ethyl]-2-butoxyethanamine
CID 62572554
N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine
CID 62571632
1-(3-butoxypropyl)-3-[2-(2,4-difluorophenoxy)ethyl]-2-methylguanidine
CID 111783119
2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine
CID 62571535
2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine
CID 107661426
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
N-(2-butoxyethyl)-4-ethoxy-3-fluoroaniline
CID 113399744
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 60689845
2-butoxy-N-[(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 61170307
2-butyl-1-[2-(2,4-difluorophenoxy)ethyl]guanidine
CID 111752187

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine (CID 55088257) is 2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine is CCCCOCCNCCOc1ccc(F)cc1F.
What is the InChIKey of 2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine?
The InChIKey is BUKMLXYKVZYUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-2-3-8-18-9-6-17-7-10-19-14-5-4-12(15)11-13(14)16/h4-5,11,17H,2-3,6-10H2,1H3.
What are the key properties of 2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine?
2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine has a molecular weight of 273.32 g/mol, XLogP of 2.75, 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-(2,4-difluorophenoxy)ethyl]ethanamine is sourced from PubChem (CID 55088257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).