5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C14H19F3N2O — CID 66052213

IUPAC5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-18(2)8-12-7-13(20)9-19(12)11-5-3-10(4-6-11)14(15,16)17/h3-6,12-13,20H,7-9H2,1-2H3
InChIKeyMBQKQRNNTVGZEL-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.21
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 66052213) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID66052213
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-18(2)8-12-7-13(20)9-19(12)11-5-3-10(4-6-11)14(15,16)17/h3-6,12-13,20H,7-9H2,1-2H3
InChIKeyMBQKQRNNTVGZEL-UHFFFAOYSA-N
XLogP2.21
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 66052213) is 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is MBQKQRNNTVGZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-18(2)8-12-7-13(20)9-19(12)11-5-3-10(4-6-11)14(15,16)17/h3-6,12-13,20H,7-9H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 288.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 66052213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).