2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol

C15H20F3NO2 — CID 90073914

IUPAC2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol
SMILESC[C@@]1(c2ccc(C(F)(F)F)cc2)CC[C@H](CNCCO)O1
InChIInChI=1S/C15H20F3NO2/c1-14(7-6-13(21-14)10-19-8-9-20)11-2-4-12(5-3-11)15(16,17)18/h2-5,13,19-20H,6-10H2,1H3/t13-,14+/m1/s1
InChIKeyOMPZUPPVWOFOOF-KGLIPLIRSA-N
MW303.32 g/mol
LogP2.68
Rot. Bonds5

About 2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol

2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol (PubChem CID 90073914) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol
PubChem CID90073914
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol
SMILESC[C@@]1(c2ccc(C(F)(F)F)cc2)CC[C@H](CNCCO)O1
InChIInChI=1S/C15H20F3NO2/c1-14(7-6-13(21-14)10-19-8-9-20)11-2-4-12(5-3-11)15(16,17)18/h2-5,13,19-20H,6-10H2,1H3/t13-,14+/m1/s1
InChIKeyOMPZUPPVWOFOOF-KGLIPLIRSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R,4S)-4-[(4-octylphenyl)methoxy]pyrrolidin-2-yl]methanol;hydrochloride
CID 72704308
(2R,4S)-2-(methoxymethyl)-4-[(4-octylphenyl)methoxy]pyrrolidine;hydrochloride
CID 72704523
2-[4-(Trifluoromethyl)phenyl]morpholine
CID 3756313
1-(Oxolan-2-ylmethylamino)-3-phenylmethoxypropan-2-ol
CID 44427652
[(2S,4R)-4-[(4-octylphenyl)methoxy]pyrrolidin-2-yl]methanol;hydrochloride
CID 72704306
[(2R,4R)-4-[(4-octylphenyl)methoxy]pyrrolidin-2-yl]methanol;hydrochloride
CID 72704310
[(2S,4S)-4-[(4-octylphenyl)methoxy]pyrrolidin-2-yl]methanol;hydrochloride
CID 72704312
[(2R,4S)-4-[[4-[(E)-tetradec-1-enyl]phenyl]methoxy]pyrrolidin-2-yl]methanol;hydrochloride
CID 155518940
[(2R,4S)-4-[[4-[(E)-hex-1-enyl]phenyl]methoxy]pyrrolidin-2-yl]methanol;hydrochloride
CID 155521591
[(2R,4S)-4-[[4-[(E)-dodec-1-enyl]phenyl]methoxy]pyrrolidin-2-yl]methanol;hydrochloride
CID 155524718
[(2S,4R)-4-[(4-dodecylphenyl)methoxy]pyrrolidin-2-yl]methanol;hydrochloride
CID 155527873
[(2S,4R)-4-[[4-[(E)-dodec-1-enyl]phenyl]methoxy]pyrrolidin-2-yl]methanol;hydrochloride
CID 155542454

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol?
The IUPAC name of 2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol (CID 90073914) is 2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol?
The canonical SMILES for 2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol is C[C@@]1(c2ccc(C(F)(F)F)cc2)CC[C@H](CNCCO)O1.
What is the InChIKey of 2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol?
The InChIKey is OMPZUPPVWOFOOF-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-14(7-6-13(21-14)10-19-8-9-20)11-2-4-12(5-3-11)15(16,17)18/h2-5,13,19-20H,6-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of 2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol?
2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol has a molecular weight of 303.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,5S)-5-methyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]ethanol is sourced from PubChem (CID 90073914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).