N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine

C13H19FN2O — CID 66184304

IUPACN-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine
SMILESCCN(CCOc1ccccc1F)C1CNC1
InChIInChI=1S/C13H19FN2O/c1-2-16(11-9-15-10-11)7-8-17-13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyKIOZOUFOJIOLPO-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.50
Rot. Bonds6

About N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine

N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine (PubChem CID 66184304) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine
PubChem CID66184304
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine
SMILESCCN(CCOc1ccccc1F)C1CNC1
InChIInChI=1S/C13H19FN2O/c1-2-16(11-9-15-10-11)7-8-17-13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyKIOZOUFOJIOLPO-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66215915
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine
CID 55245884
N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214909
1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 63300204
N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66181429
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276
N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66216702
1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79114793
N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
CID 66182713
6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 83820223

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine?
The IUPAC name of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine (CID 66184304) is N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine?
The canonical SMILES for N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine is CCN(CCOc1ccccc1F)C1CNC1.
What is the InChIKey of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine?
The InChIKey is KIOZOUFOJIOLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-16(11-9-15-10-11)7-8-17-13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine?
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine is sourced from PubChem (CID 66184304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).