5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline

C13H18F2N2O — CID 112737548

IUPAC5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline
SMILESC[C@@H]1CN(c2ccc(C(F)F)cc2N)C[C@H](C)O1
InChIInChI=1S/C13H18F2N2O/c1-8-6-17(7-9(2)18-8)12-4-3-10(13(14)15)5-11(12)16/h3-5,8-9,13H,6-7,16H2,1-2H3/t8-,9+
InChIKeyQSKUPSYBXAKSLS-DTORHVGOSA-N
MW256.30 g/mol
LogP2.82
Rot. Bonds2

About 5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline

5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline (PubChem CID 112737548) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline.

Molecular Properties

Compound Name5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline
PubChem CID112737548
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline
SMILESC[C@@H]1CN(c2ccc(C(F)F)cc2N)C[C@H](C)O1
InChIInChI=1S/C13H18F2N2O/c1-8-6-17(7-9(2)18-8)12-4-3-10(13(14)15)5-11(12)16/h3-5,8-9,13H,6-7,16H2,1-2H3/t8-,9+
InChIKeyQSKUPSYBXAKSLS-DTORHVGOSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline
CID 112737469
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
2-(2,6-dimethylmorpholin-4-yl)-5-methylsulfonylaniline
CID 43447927
4-(difluoromethoxy)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoroaniline
CID 104957827
4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline
CID 114088890
5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline
CID 66110674
(1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 78939185
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
CID 104959064
2-morpholin-4-yl-5-propan-2-ylaniline
CID 22752981
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 43505904
4-(2,6-dimethylmorpholin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 171774754

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline?
The IUPAC name of 5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline (CID 112737548) is 5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline.
What is the SMILES notation for 5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline?
The canonical SMILES for 5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline is C[C@@H]1CN(c2ccc(C(F)F)cc2N)C[C@H](C)O1.
What is the InChIKey of 5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline?
The InChIKey is QSKUPSYBXAKSLS-DTORHVGOSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8-6-17(7-9(2)18-8)12-4-3-10(13(14)15)5-11(12)16/h3-5,8-9,13H,6-7,16H2,1-2H3/t8-,9+.
What are the key properties of 5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline?
5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline has a molecular weight of 256.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline is sourced from PubChem (CID 112737548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).