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

C11H14F3NO2 — CID 86814419

IUPAC(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-8(16)6-15-7-9-3-2-4-10(5-9)17-11(12,13)14/h2-5,8,15-16H,6-7H2,1H3/t8-/m1/s1
InChIKeyRDEKBXIJXBUZKT-MRVPVSSYSA-N
MW249.23 g/mol
LogP2.06
Rot. Bonds5

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

(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol (PubChem CID 86814419) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is (2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
PubChem CID86814419
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-8(16)6-15-7-9-3-2-4-10(5-9)17-11(12,13)14/h2-5,8,15-16H,6-7H2,1H3/t8-/m1/s1
InChIKeyRDEKBXIJXBUZKT-MRVPVSSYSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol
CID 107267934
N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
CID 103643810
1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol
CID 103685294
1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 110930765
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
CID 54849301
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
N-[[3-(trifluoromethoxy)phenyl]methyl]but-2-yn-1-amine
CID 103868570

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol (CID 86814419) is (2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol is C[C@@H](O)CNCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol?
The InChIKey is RDEKBXIJXBUZKT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-8(16)6-15-7-9-3-2-4-10(5-9)17-11(12,13)14/h2-5,8,15-16H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol?
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol has a molecular weight of 249.23 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 86814419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).