(1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol

C16H23F3N2O2 — CID 100842404

IUPAC(1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCN(C)C[C@@H]1CN(C[C@@H](O)c2ccccc2C(F)(F)F)CCO1
InChIInChI=1S/C16H23F3N2O2/c1-20(2)9-12-10-21(7-8-23-12)11-15(22)13-5-3-4-6-14(13)16(17,18)19/h3-6,12,15,22H,7-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyVEGVGRQBMOKDIY-IUODEOHRSA-N
MW332.37 g/mol
LogP2.00
Rot. Bonds5

About (1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol

(1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 100842404) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is (1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID100842404
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name(1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCN(C)C[C@@H]1CN(C[C@@H](O)c2ccccc2C(F)(F)F)CCO1
InChIInChI=1S/C16H23F3N2O2/c1-20(2)9-12-10-21(7-8-23-12)11-15(22)13-5-3-4-6-14(13)16(17,18)19/h3-6,12,15,22H,7-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyVEGVGRQBMOKDIY-IUODEOHRSA-N
XLogP2.00
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol (CID 100842404) is (1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol is CN(C)C[C@@H]1CN(C[C@@H](O)c2ccccc2C(F)(F)F)CCO1.
What is the InChIKey of (1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is VEGVGRQBMOKDIY-IUODEOHRSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-20(2)9-12-10-21(7-8-23-12)11-15(22)13-5-3-4-6-14(13)16(17,18)19/h3-6,12,15,22H,7-11H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of (1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol?
(1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 332.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 100842404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).