(3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol

C17H25F3N2O2 — CID 166293070

IUPAC(3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol
SMILESOC(CNCCCN1CC[C@@H](O)C1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O2/c18-17(19,20)14-4-2-13(3-5-14)10-16(24)11-21-7-1-8-22-9-6-15(23)12-22/h2-5,15-16,21,23-24H,1,6-12H2/t15-,16?/m1/s1
InChIKeyMJGSSRWPFWFUNS-AAFJCEBUSA-N
MW346.39 g/mol
LogP1.66
Rot. Bonds8

About (3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol

(3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol (PubChem CID 166293070) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is (3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol
PubChem CID166293070
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name(3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol
SMILESOC(CNCCCN1CC[C@@H](O)C1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O2/c18-17(19,20)14-4-2-13(3-5-14)10-16(24)11-21-7-1-8-22-9-6-15(23)12-22/h2-5,15-16,21,23-24H,1,6-12H2/t15-,16?/m1/s1
InChIKeyMJGSSRWPFWFUNS-AAFJCEBUSA-N
XLogP1.66
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111429533
(3S)-1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol
CID 67673345
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 111117330
3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine
CID 58788403
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008
1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol
CID 167873314
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462
5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 142203549
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 67840205
N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
CID 22888129
1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol (CID 166293070) is (3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol is OC(CNCCCN1CC[C@@H](O)C1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol?
The InChIKey is MJGSSRWPFWFUNS-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c18-17(19,20)14-4-2-13(3-5-14)10-16(24)11-21-7-1-8-22-9-6-15(23)12-22/h2-5,15-16,21,23-24H,1,6-12H2/t15-,16?/m1/s1.
What are the key properties of (3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol?
(3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol has a molecular weight of 346.39 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]amino]propyl]pyrrolidin-3-ol is sourced from PubChem (CID 166293070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).