(2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol

C15H21F3N2O2 — CID 122579136

IUPAC(2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
SMILESN[C@H](CN1CCCC1)C(O)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O2/c16-15(17,18)10-22-12-5-3-11(4-6-12)14(21)13(19)9-20-7-1-2-8-20/h3-6,13-14,21H,1-2,7-10,19H2/t13-,14?/m1/s1
InChIKeyORCGRHUTGKKIJX-KWCCSABGSA-N
MW318.34 g/mol
LogP2.08
Rot. Bonds6

About (2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol

(2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol (PubChem CID 122579136) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
PubChem CID122579136
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name(2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
SMILESN[C@H](CN1CCCC1)C(O)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O2/c16-15(17,18)10-22-12-5-3-11(4-6-12)14(21)13(19)9-20-7-1-2-8-20/h3-6,13-14,21H,1-2,7-10,19H2/t13-,14?/m1/s1
InChIKeyORCGRHUTGKKIJX-KWCCSABGSA-N
XLogP2.08
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol 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

(1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 163771955
(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
(1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol
CID 59864499
4-sulfanyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]butane-1,2-diol
CID 171874969
(3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide
CID 122446875
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 20747757
(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70826390
2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol
CID 84802854
(1R,2R)-2-[[1-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 130369491
1-pyrrolidin-1-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 71996858
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol (CID 122579136) is (2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol is N[C@H](CN1CCCC1)C(O)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of (2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
The InChIKey is ORCGRHUTGKKIJX-KWCCSABGSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c16-15(17,18)10-22-12-5-3-11(4-6-12)14(21)13(19)9-20-7-1-2-8-20/h3-6,13-14,21H,1-2,7-10,19H2/t13-,14?/m1/s1.
What are the key properties of (2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
(2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol has a molecular weight of 318.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 122579136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).