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

C15H20F3NO — CID 14459015

IUPAC(1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESC[C@H](CN1CCCC1)[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-11(10-19-8-2-3-9-19)14(20)12-4-6-13(7-5-12)15(16,17)18/h4-7,11,14,20H,2-3,8-10H2,1H3/t11-,14-/m1/s1
InChIKeyHKBIJWYLPCAZNL-BXUZGUMPSA-N
MW287.32 g/mol
LogP3.47
Rot. Bonds4

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

(1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 14459015) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID14459015
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESC[C@H](CN1CCCC1)[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-11(10-19-8-2-3-9-19)14(20)12-4-6-13(7-5-12)15(16,17)18/h4-7,11,14,20H,2-3,8-10H2,1H3/t11-,14-/m1/s1
InChIKeyHKBIJWYLPCAZNL-BXUZGUMPSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)-1-phenylpropan-1-ol
CID 110665
Benzenemethanol, 4-cyclopentyl-alpha-((diethylamino)methyl)-, hydrochloride
CID 3070069
Allosedamine
CID 433956
(R*,R*)-(+-)-1-Methyl-alpha-phenyl-2-piperidineethanol
CID 121504
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1S,2R)-
CID 9942483
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1R,2S)-
CID 10856631
1-Phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 2851843
1-Phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanol
CID 3895296
1-(4-Methylphenyl)-3-(piperidin-1-yl)propan-1-ol
CID 214250
2-Pyrrolidineethanol, 1-methyl-alpha-(3-methylphenyl)-, (R*,S*)-
CID 3054352
1-(3-Methylphenyl)-2-(1-methylpyrrolidin-2-yl)ethan-1-ol
CID 3054353
2-Pyrrolidineethanol, 1-methyl-alpha-(3-methylphenyl)-
CID 3054355

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 14459015) is (1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is C[C@H](CN1CCCC1)[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is HKBIJWYLPCAZNL-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-11(10-19-8-2-3-9-19)14(20)12-4-6-13(7-5-12)15(16,17)18/h4-7,11,14,20H,2-3,8-10H2,1H3/t11-,14-/m1/s1.
What are the key properties of (1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
(1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 287.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 14459015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).