1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine

C16H27FN2O — CID 107701612

IUPAC1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCCN(CC)CC
InChIInChI=1S/C16H27FN2O/c1-4-15(18)12-13-11-14(17)7-8-16(13)20-10-9-19(5-2)6-3/h7-8,11,15H,4-6,9-10,12,18H2,1-3H3
InChIKeyURIACGGCZFNGSI-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.83
Rot. Bonds9

About 1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine

1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine (PubChem CID 107701612) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
PubChem CID107701612
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCCN(CC)CC
InChIInChI=1S/C16H27FN2O/c1-4-15(18)12-13-11-14(17)7-8-16(13)20-10-9-19(5-2)6-3/h7-8,11,15H,4-6,9-10,12,18H2,1-3H3
InChIKeyURIACGGCZFNGSI-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
CID 107701603
1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
CID 107701484
1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 107701721
N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107696867
1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 107701557
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63815425
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine
CID 63802588

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine (CID 107701612) is 1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1OCCN(CC)CC.
What is the InChIKey of 1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine?
The InChIKey is URIACGGCZFNGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-4-15(18)12-13-11-14(17)7-8-16(13)20-10-9-19(5-2)6-3/h7-8,11,15H,4-6,9-10,12,18H2,1-3H3.
What are the key properties of 1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine?
1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine has a molecular weight of 282.40 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine is sourced from PubChem (CID 107701612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).