1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine

C15H23FN2 — CID 113417823

IUPAC1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCCCC1CCN(c2cccc(F)c2C(C)N)C1
InChIInChI=1S/C15H23FN2/c1-3-5-12-8-9-18(10-12)14-7-4-6-13(16)15(14)11(2)17/h4,6-7,11-12H,3,5,8-10,17H2,1-2H3
InChIKeyUELHBHWJEVNDOY-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds4

About 1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine

1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 113417823) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID113417823
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCCCC1CCN(c2cccc(F)c2C(C)N)C1
InChIInChI=1S/C15H23FN2/c1-3-5-12-8-9-18(10-12)14-7-4-6-13(16)15(14)11(2)17/h4,6-7,11-12H,3,5,8-10,17H2,1-2H3
InChIKeyUELHBHWJEVNDOY-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63369022
(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78934450
1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63369298
(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368625
1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62199086
1-[1-[2-[(1S)-1-aminoethyl]-3-fluorophenyl]piperidin-4-yl]ethanol
CID 106836283
N-[[1-[2-(1-aminoethyl)-3-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736475
(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
1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597980
1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
CID 43188755

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine (CID 113417823) is 1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine is CCCC1CCN(c2cccc(F)c2C(C)N)C1.
What is the InChIKey of 1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is UELHBHWJEVNDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-5-12-8-9-18(10-12)14-7-4-6-13(16)15(14)11(2)17/h4,6-7,11-12H,3,5,8-10,17H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine?
1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 113417823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).