(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine

C16H24FN3O — CID 78930853

IUPAC(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1cc(F)ccc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H24FN3O/c1-12(18)15-10-13(17)2-3-16(15)20-5-4-14(11-20)19-6-8-21-9-7-19/h2-3,10,12,14H,4-9,11,18H2,1H3/t12-,14?/m0/s1
InChIKeyBBKRDMUWAMTCAJ-NBFOIZRFSA-N
MW293.39 g/mol
LogP1.76
Rot. Bonds3

About (1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine

(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 78930853) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID78930853
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1cc(F)ccc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H24FN3O/c1-12(18)15-10-13(17)2-3-16(15)20-5-4-14(11-20)19-6-8-21-9-7-19/h2-3,10,12,14H,4-9,11,18H2,1H3/t12-,14?/m0/s1
InChIKeyBBKRDMUWAMTCAJ-NBFOIZRFSA-N
XLogP1.76
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 63369223
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163789
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol
CID 82958133
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
(1R)-1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 55215612
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine
CID 104871226
(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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine (CID 78930853) is (1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine is C[C@H](N)c1cc(F)ccc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of (1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is BBKRDMUWAMTCAJ-NBFOIZRFSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-12(18)15-10-13(17)2-3-16(15)20-5-4-14(11-20)19-6-8-21-9-7-19/h2-3,10,12,14H,4-9,11,18H2,1H3/t12-,14?/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 293.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78930853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).