1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine

C16H26FN3 — CID 63369298

IUPAC1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cccc(F)c2[C@@H](C)N)C1
InChIInChI=1S/C16H26FN3/c1-4-19(5-2)13-9-10-20(11-13)15-8-6-7-14(17)16(15)12(3)18/h6-8,12-13H,4-5,9-11,18H2,1-3H3/t12-,13?/m1/s1
InChIKeyRECSSIYRZFAWJN-PZORYLMUSA-N
MW279.40 g/mol
LogP2.77
Rot. Bonds5

About 1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine

1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63369298) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63369298
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cccc(F)c2[C@@H](C)N)C1
InChIInChI=1S/C16H26FN3/c1-4-19(5-2)13-9-10-20(11-13)15-8-6-7-14(17)16(15)12(3)18/h6-8,12-13H,4-5,9-11,18H2,1-3H3/t12-,13?/m1/s1
InChIKeyRECSSIYRZFAWJN-PZORYLMUSA-N
XLogP2.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170648
1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168224
1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine
CID 113417823
(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78934450
(1R)-1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63369022
1-[1-[2-[(1S)-1-aminoethyl]-3-fluorophenyl]piperidin-4-yl]ethanol
CID 106836283
(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368625
(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 63368988
(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-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol
CID 78941188
1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
CID 43188755

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine (CID 63369298) is 1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2cccc(F)c2[C@@H](C)N)C1.
What is the InChIKey of 1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is RECSSIYRZFAWJN-PZORYLMUSA-N. The full InChI is InChI=1S/C16H26FN3/c1-4-19(5-2)13-9-10-20(11-13)15-8-6-7-14(17)16(15)12(3)18/h6-8,12-13H,4-5,9-11,18H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of 1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine?
1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 279.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63369298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).