N-ethyl-2-(4-fluorophenoxy)pentan-1-amine

C13H20FNO — CID 83046488

IUPACN-ethyl-2-(4-fluorophenoxy)pentan-1-amine
SMILESCCCC(CNCC)Oc1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-3-5-13(10-15-4-2)16-12-8-6-11(14)7-9-12/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyKMISWRIKXNGXHS-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.98
Rot. Bonds7

About N-ethyl-2-(4-fluorophenoxy)pentan-1-amine

N-ethyl-2-(4-fluorophenoxy)pentan-1-amine (PubChem CID 83046488) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenoxy)pentan-1-amine
PubChem CID83046488
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-2-(4-fluorophenoxy)pentan-1-amine
SMILESCCCC(CNCC)Oc1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-3-5-13(10-15-4-2)16-12-8-6-11(14)7-9-12/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyKMISWRIKXNGXHS-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenoxy)-N-propylpentan-1-amine
CID 83045947
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine
CID 83044384
2-(4-chloro-3,5-dimethylphenoxy)-N-ethylpentan-1-amine
CID 83046354
N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 83046654
2-(3-fluoro-4-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107170893
2-(3-bromo-4-fluorophenoxy)-N-propylpentan-1-amine
CID 83234665
N-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine
CID 102747436
2-(3-fluorophenoxy)-N-methylpentan-1-amine
CID 83046683

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenoxy)pentan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenoxy)pentan-1-amine (CID 83046488) is N-ethyl-2-(4-fluorophenoxy)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenoxy)pentan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenoxy)pentan-1-amine is CCCC(CNCC)Oc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenoxy)pentan-1-amine?
The InChIKey is KMISWRIKXNGXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-5-13(10-15-4-2)16-12-8-6-11(14)7-9-12/h6-9,13,15H,3-5,10H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenoxy)pentan-1-amine?
N-ethyl-2-(4-fluorophenoxy)pentan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenoxy)pentan-1-amine is sourced from PubChem (CID 83046488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).