(1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol

C15H21F3N2O3 — CID 98758883

IUPAC(1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCN1CCO[C@@H](CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H21F3N2O3/c1-20-6-7-22-13(10-20)8-19-9-14(21)11-2-4-12(5-3-11)23-15(16,17)18/h2-5,13-14,19,21H,6-10H2,1H3/t13-,14+/m0/s1
InChIKeyCOBDBPAQHWPDBO-UONOGXRCSA-N
MW334.34 g/mol
LogP1.54
Rot. Bonds6

About (1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol

(1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 98758883) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is (1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID98758883
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC Name(1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCN1CCO[C@@H](CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H21F3N2O3/c1-20-6-7-22-13(10-20)8-19-9-14(21)11-2-4-12(5-3-11)23-15(16,17)18/h2-5,13-14,19,21H,6-10H2,1H3/t13-,14+/m0/s1
InChIKeyCOBDBPAQHWPDBO-UONOGXRCSA-N
XLogP1.54
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]ethanol
CID 78945331
(1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol
CID 95751208
1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95275069
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95160740
(1S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 100842396
2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111091294
(1S)-1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-1-ol
CID 79172364
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butan-1-amine
CID 75356165
(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol
CID 95751212
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95311551
(2S)-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pentan-1-amine
CID 97045047
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of (1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol (CID 98758883) is (1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol is CN1CCO[C@@H](CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of (1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is COBDBPAQHWPDBO-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-20-6-7-22-13(10-20)8-19-9-14(21)11-2-4-12(5-3-11)23-15(16,17)18/h2-5,13-14,19,21H,6-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of (1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol?
(1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 334.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 98758883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).