2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone

C14H17F3N2O2 — CID 95426731

IUPAC2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESO=C(CNCc1ccccc1)N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)12-10-19(6-7-21-12)13(20)9-18-8-11-4-2-1-3-5-11/h1-5,12,18H,6-10H2/t12-/m1/s1
InChIKeyXNBSMHVXELOWNW-GFCCVEGCSA-N
MW302.30 g/mol
LogP1.57
Rot. Bonds4

About 2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone

2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone (PubChem CID 95426731) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
PubChem CID95426731
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESO=C(CNCc1ccccc1)N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)12-10-19(6-7-21-12)13(20)9-18-8-11-4-2-1-3-5-11/h1-5,12,18H,6-10H2/t12-/m1/s1
InChIKeyXNBSMHVXELOWNW-GFCCVEGCSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 154892255
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 168940341
2-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95724984
1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide
CID 56880926
N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide
CID 167945819
anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95539252
[1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95554847
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid
CID 79261444
[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95399137
N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-phenylpropanamide
CID 30851130

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone (CID 95426731) is 2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone is O=C(CNCc1ccccc1)N1CCO[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The InChIKey is XNBSMHVXELOWNW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)12-10-19(6-7-21-12)13(20)9-18-8-11-4-2-1-3-5-11/h1-5,12,18H,6-10H2/t12-/m1/s1.
What are the key properties of 2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone has a molecular weight of 302.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 95426731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).