1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine

C12H17FN2 — CID 43188715

IUPAC1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
SMILESCC(N)c1cc(F)ccc1N1CCCC1
InChIInChI=1S/C12H17FN2/c1-9(14)11-8-10(13)4-5-12(11)15-6-2-3-7-15/h4-5,8-9H,2-3,6-7,14H2,1H3
InChIKeyROFWMPUIXNNRJC-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.45
Rot. Bonds2

About 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine

1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine (PubChem CID 43188715) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
PubChem CID43188715
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
SMILESCC(N)c1cc(F)ccc1N1CCCC1
InChIInChI=1S/C12H17FN2/c1-9(14)11-8-10(13)4-5-12(11)15-6-2-3-7-15/h4-5,8-9H,2-3,6-7,14H2,1H3
InChIKeyROFWMPUIXNNRJC-UHFFFAOYSA-N
XLogP2.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368739
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]-1,4-diazepan-1-yl]ethanol
CID 107223420
(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
CID 63368809
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163789
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine (CID 43188715) is 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine is CC(N)c1cc(F)ccc1N1CCCC1.
What is the InChIKey of 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine?
The InChIKey is ROFWMPUIXNNRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9(14)11-8-10(13)4-5-12(11)15-6-2-3-7-15/h4-5,8-9H,2-3,6-7,14H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine?
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine has a molecular weight of 208.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine is sourced from PubChem (CID 43188715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).