2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol

C12H17FN2O — CID 77130261

IUPAC2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol
SMILESNC(CO)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C12H17FN2O/c13-10-7-9(11(14)8-16)3-4-12(10)15-5-1-2-6-15/h3-4,7,11,16H,1-2,5-6,8,14H2
InChIKeyPVXLWVWMIVBPCK-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.42
Rot. Bonds3

About 2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol

2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol (PubChem CID 77130261) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol
PubChem CID77130261
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol
SMILESNC(CO)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C12H17FN2O/c13-10-7-9(11(14)8-16)3-4-12(10)15-5-1-2-6-15/h3-4,7,11,16H,1-2,5-6,8,14H2
InChIKeyPVXLWVWMIVBPCK-UHFFFAOYSA-N
XLogP1.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
(2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol
CID 66515936
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
2-amino-2-(4-amino-3-fluorophenyl)ethanol
CID 55283111
2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
CID 55273327
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol
CID 66515738
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-2-amine
CID 29037241
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol (CID 77130261) is 2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol is NC(CO)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol?
The InChIKey is PVXLWVWMIVBPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-7-9(11(14)8-16)3-4-12(10)15-5-1-2-6-15/h3-4,7,11,16H,1-2,5-6,8,14H2.
What are the key properties of 2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol?
2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol has a molecular weight of 224.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol is sourced from PubChem (CID 77130261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).