N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine

C14H22FNO — CID 90745860

IUPACN,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine
SMILESCCN(CC)CCOC(C)c1ccccc1F
InChIInChI=1S/C14H22FNO/c1-4-16(5-2)10-11-17-12(3)13-8-6-7-9-14(13)15/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyOALDGWQBTRIPIW-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.25
Rot. Bonds7

About N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine

N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine (PubChem CID 90745860) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine
PubChem CID90745860
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine
SMILESCCN(CC)CCOC(C)c1ccccc1F
InChIInChI=1S/C14H22FNO/c1-4-16(5-2)10-11-17-12(3)13-8-6-7-9-14(13)15/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyOALDGWQBTRIPIW-UHFFFAOYSA-N
XLogP3.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine
CID 97320003
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
CID 70132792
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074159
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
CID 2263014
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 114058272

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine (CID 90745860) is N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine is CCN(CC)CCOC(C)c1ccccc1F.
What is the InChIKey of N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine?
The InChIKey is OALDGWQBTRIPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-16(5-2)10-11-17-12(3)13-8-6-7-9-14(13)15/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine?
N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine has a molecular weight of 239.33 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine is sourced from PubChem (CID 90745860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).