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

C18H27F3N2O — CID 166386622

IUPAC(2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol
SMILESCC(C)N(C)C[C@H](O)CN1CCC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H27F3N2O/c1-13(2)22(3)11-15(24)12-23-9-8-14(10-23)16-6-4-5-7-17(16)18(19,20)21/h4-7,13-15,24H,8-12H2,1-3H3/t14?,15-/m0/s1
InChIKeyVYHNJGJCLWOVOM-LOACHALJSA-N
MW344.42 g/mol
LogP3.20
Rot. Bonds6

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

(2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol (PubChem CID 166386622) has the molecular formula C18H27F3N2O and a molecular weight of 344.42 g/mol. Its IUPAC name is (2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol
PubChem CID166386622
Molecular FormulaC18H27F3N2O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name(2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol
SMILESCC(C)N(C)C[C@H](O)CN1CCC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H27F3N2O/c1-13(2)22(3)11-15(24)12-23-9-8-14(10-23)16-6-4-5-7-17(16)18(19,20)21/h4-7,13-15,24H,8-12H2,1-3H3/t14?,15-/m0/s1
InChIKeyVYHNJGJCLWOVOM-LOACHALJSA-N
XLogP3.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol (CID 166386622) is (2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol is CC(C)N(C)C[C@H](O)CN1CCC(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of (2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol?
The InChIKey is VYHNJGJCLWOVOM-LOACHALJSA-N. The full InChI is InChI=1S/C18H27F3N2O/c1-13(2)22(3)11-15(24)12-23-9-8-14(10-23)16-6-4-5-7-17(16)18(19,20)21/h4-7,13-15,24H,8-12H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of (2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol?
(2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol has a molecular weight of 344.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 166386622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).