1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol

C15H21F3N2O2 — CID 110930765

IUPAC1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
SMILESOC(CNCc1cccc(OC(F)(F)F)c1)CN1CCCC1
InChIInChI=1S/C15H21F3N2O2/c16-15(17,18)22-14-5-3-4-12(8-14)9-19-10-13(21)11-20-6-1-2-7-20/h3-5,8,13,19,21H,1-2,6-7,9-11H2
InChIKeyGERGJZQUDPLAJE-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.13
Rot. Bonds7

About 1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol

1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol (PubChem CID 110930765) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
PubChem CID110930765
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
SMILESOC(CNCc1cccc(OC(F)(F)F)c1)CN1CCCC1
InChIInChI=1S/C15H21F3N2O2/c16-15(17,18)22-14-5-3-4-12(8-14)9-19-10-13(21)11-20-6-1-2-7-20/h3-5,8,13,19,21H,1-2,6-7,9-11H2
InChIKeyGERGJZQUDPLAJE-UHFFFAOYSA-N
XLogP2.13
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
N-[(3-methoxyphenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60956731
N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
CID 103643810
1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885348
(2S)-1-(azepan-1-yl)-3-[3-[[(3-chlorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 25458832
1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol
CID 103685294
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
(2R)-1-(azepan-1-yl)-3-[3-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 25384279
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol
CID 107267934
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol (CID 110930765) is 1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol is OC(CNCc1cccc(OC(F)(F)F)c1)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol?
The InChIKey is GERGJZQUDPLAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c16-15(17,18)22-14-5-3-4-12(8-14)9-19-10-13(21)11-20-6-1-2-7-20/h3-5,8,13,19,21H,1-2,6-7,9-11H2.
What are the key properties of 1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol?
1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol has a molecular weight of 318.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 110930765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).