1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol

C14H19F3N2O — CID 57147267

IUPAC1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol
SMILESCN[C@H](CN1CCC(O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-18-13(9-19-7-6-12(20)8-19)10-2-4-11(5-3-10)14(15,16)17/h2-5,12-13,18,20H,6-9H2,1H3/t12?,13-/m1/s1
InChIKeyULYICDOZVHIHPO-ZGTCLIOFSA-N
MW288.31 g/mol
LogP2.03
Rot. Bonds4

About 1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol

1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol (PubChem CID 57147267) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol
PubChem CID57147267
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol
SMILESCN[C@H](CN1CCC(O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-18-13(9-19-7-6-12(20)8-19)10-2-4-11(5-3-10)14(15,16)17/h2-5,12-13,18,20H,6-9H2,1H3/t12?,13-/m1/s1
InChIKeyULYICDOZVHIHPO-ZGTCLIOFSA-N
XLogP2.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol (CID 57147267) is 1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol is CN[C@H](CN1CCC(O)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol?
The InChIKey is ULYICDOZVHIHPO-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-18-13(9-19-7-6-12(20)8-19)10-2-4-11(5-3-10)14(15,16)17/h2-5,12-13,18,20H,6-9H2,1H3/t12?,13-/m1/s1.
What are the key properties of 1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol?
1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol has a molecular weight of 288.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 57147267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).