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

C20H23F3N2O2 — CID 167873314

IUPAC1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol
SMILESOc1cc(CNCc2ccc(CN3CCC(O)C3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)17-7-16(8-19(27)9-17)11-24-10-14-1-3-15(4-2-14)12-25-6-5-18(26)13-25/h1-4,7-9,18,24,26-27H,5-6,10-13H2
InChIKeyABCRUZGCEBGDPT-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.27
Rot. Bonds6

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

1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol (PubChem CID 167873314) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol
PubChem CID167873314
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol
SMILESOc1cc(CNCc2ccc(CN3CCC(O)C3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)17-7-16(8-19(27)9-17)11-24-10-14-1-3-15(4-2-14)12-25-6-5-18(26)13-25/h1-4,7-9,18,24,26-27H,5-6,10-13H2
InChIKeyABCRUZGCEBGDPT-UHFFFAOYSA-N
XLogP3.27
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
CID 129494089
4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 78930300
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 106699274
(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
CID 70761607
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512867
3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol (CID 167873314) is 1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol is Oc1cc(CNCc2ccc(CN3CCC(O)C3)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is ABCRUZGCEBGDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)17-7-16(8-19(27)9-17)11-24-10-14-1-3-15(4-2-14)12-25-6-5-18(26)13-25/h1-4,7-9,18,24,26-27H,5-6,10-13H2.
What are the key properties of 1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol?
1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 380.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[[3-hydroxy-5-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 167873314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).