1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine

C14H21FN2O2 — CID 103534523

IUPAC1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine
SMILESCOC1CN(c2cccc(F)c2C(C)N)CC1OC
InChIInChI=1S/C14H21FN2O2/c1-9(16)14-10(15)5-4-6-11(14)17-7-12(18-2)13(8-17)19-3/h4-6,9,12-13H,7-8,16H2,1-3H3
InChIKeyKLXYRLLCXAPOQA-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine

1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine (PubChem CID 103534523) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine
PubChem CID103534523
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine
SMILESCOC1CN(c2cccc(F)c2C(C)N)CC1OC
InChIInChI=1S/C14H21FN2O2/c1-9(16)14-10(15)5-4-6-11(14)17-7-12(18-2)13(8-17)19-3/h4-6,9,12-13H,7-8,16H2,1-3H3
InChIKeyKLXYRLLCXAPOQA-UHFFFAOYSA-N
XLogP1.70
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 113335795
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 115560206
(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
CID 78935636
1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
CID 43188755
1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744257
1-[1-[2-[(1S)-1-aminoethyl]-3-fluorophenyl]piperidin-4-yl]ethanol
CID 106836283
(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 63368988
1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 61432786
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 43581575
1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine
CID 113417823
1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63369298
(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78934450

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine (CID 103534523) is 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine is COC1CN(c2cccc(F)c2C(C)N)CC1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine?
The InChIKey is KLXYRLLCXAPOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(16)14-10(15)5-4-6-11(14)17-7-12(18-2)13(8-17)19-3/h4-6,9,12-13H,7-8,16H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine?
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine has a molecular weight of 268.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 103534523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).