N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine

C13H20FNO — CID 78791127

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CCOc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-3-4-9-15(2)10-11-16-13-8-6-5-7-12(13)14/h5-8H,3-4,9-11H2,1-2H3
InChIKeyNSJFWXQPULZNJR-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine

N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine (PubChem CID 78791127) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
PubChem CID78791127
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CCOc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-3-4-9-15(2)10-11-16-13-8-6-5-7-12(13)14/h5-8H,3-4,9-11H2,1-2H3
InChIKeyNSJFWXQPULZNJR-UHFFFAOYSA-N
XLogP2.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(2-fluorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62686273
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methylbutan-1-amine
CID 62425318
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 114230687
2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418
butyl-[6-(2-fluorophenoxy)hexyl]azanium
CID 2251024
N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
CID 162214464
N-[2-(2-fluorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66215915
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid
CID 2923881
4-(2-fluorophenoxy)-N-propylbutan-1-amine
CID 62452469

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine (CID 78791127) is N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine is CCCCN(C)CCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine?
The InChIKey is NSJFWXQPULZNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-4-9-15(2)10-11-16-13-8-6-5-7-12(13)14/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine?
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine is sourced from PubChem (CID 78791127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).