1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol

C13H19FN2O — CID 112624320

IUPAC1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(CN)c(F)c2)C1
InChIInChI=1S/C13H19FN2O/c1-9(17)11-4-5-16(8-11)12-3-2-10(7-15)13(14)6-12/h2-3,6,9,11,17H,4-5,7-8,15H2,1H3
InChIKeyWRHPRYMAVINWDU-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.49
Rot. Bonds3

About 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol

1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol (PubChem CID 112624320) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
PubChem CID112624320
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(CN)c(F)c2)C1
InChIInChI=1S/C13H19FN2O/c1-9(17)11-4-5-16(8-11)12-3-2-10(7-15)13(14)6-12/h2-3,6,9,11,17H,4-5,7-8,15H2,1H3
InChIKeyWRHPRYMAVINWDU-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
CID 107933036
1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide
CID 115366710
1-[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 107532475
1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626665
1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191
[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
CID 113295404
1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624306
1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol
CID 114889778
[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 115366639
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
CID 115366694

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol (CID 112624320) is 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ccc(CN)c(F)c2)C1.
What is the InChIKey of 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is WRHPRYMAVINWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(17)11-4-5-16(8-11)12-3-2-10(7-15)13(14)6-12/h2-3,6,9,11,17H,4-5,7-8,15H2,1H3.
What are the key properties of 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol?
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 238.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).