[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol

C13H19FN2O — CID 78934575

IUPAC[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol
SMILESC[C@H](N)c1ccc(N2CCCC2CO)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(16)8-17/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3/t9-,11?/m0/s1
InChIKeySTWRCGRPDIAXJO-FTNKSUMCSA-N
MW238.31 g/mol
LogP1.81
Rot. Bonds3

About [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol

[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol (PubChem CID 78934575) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol
PubChem CID78934575
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol
SMILESC[C@H](N)c1ccc(N2CCCC2CO)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(16)8-17/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3/t9-,11?/m0/s1
InChIKeySTWRCGRPDIAXJO-FTNKSUMCSA-N
XLogP1.81
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 78939949
[1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]azepan-2-yl]methanol
CID 104891529
(1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 78935591
[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61406406
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
CID 78934869
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
CID 61434717
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196409
1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196452
1-[4-(1-aminoethyl)-2-fluorophenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196427
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol (CID 78934575) is [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol is C[C@H](N)c1ccc(N2CCCC2CO)c(F)c1.
What is the InChIKey of [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol?
The InChIKey is STWRCGRPDIAXJO-FTNKSUMCSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(16)8-17/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3/t9-,11?/m0/s1.
What are the key properties of [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol?
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol has a molecular weight of 238.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 78934575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).