(2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol

C13H19FN2O — CID 165351633

IUPAC(2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol
SMILESC[C@](N)(CO)c1ccc(F)cc1N1CCCC1
InChIInChI=1S/C13H19FN2O/c1-13(15,9-17)11-5-4-10(14)8-12(11)16-6-2-3-7-16/h4-5,8,17H,2-3,6-7,9,15H2,1H3/t13-/m0/s1
InChIKeyYECJSSJJFHYYOI-ZDUSSCGKSA-N
MW238.31 g/mol
LogP1.59
Rot. Bonds3

About (2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol

(2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol (PubChem CID 165351633) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol
PubChem CID165351633
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol
SMILESC[C@](N)(CO)c1ccc(F)cc1N1CCCC1
InChIInChI=1S/C13H19FN2O/c1-13(15,9-17)11-5-4-10(14)8-12(11)16-6-2-3-7-16/h4-5,8,17H,2-3,6-7,9,15H2,1H3/t13-/m0/s1
InChIKeyYECJSSJJFHYYOI-ZDUSSCGKSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
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1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine
CID 117379877
2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
CID 55294956
2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol
CID 130041449
2-amino-2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 55273470
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)ethanone
CID 2113330
1-(2,5-difluorophenyl)piperidine
CID 22638080
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
1-(2-bromo-5-fluorophenyl)azepane
CID 84713262
5-fluoro-2-piperidin-1-ylaniline
CID 6485403

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol?
The IUPAC name of (2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol (CID 165351633) is (2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol is C[C@](N)(CO)c1ccc(F)cc1N1CCCC1.
What is the InChIKey of (2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol?
The InChIKey is YECJSSJJFHYYOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-13(15,9-17)11-5-4-10(14)8-12(11)16-6-2-3-7-16/h4-5,8,17H,2-3,6-7,9,15H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol?
(2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol is sourced from PubChem (CID 165351633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).