4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline

C12H18N2O — CID 176629701

IUPAC4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline
SMILES[2H]C1([2H])CO[C@@H](c2ccc(N(C)C)cc2)CN1
InChIInChI=1S/C12H18N2O/c1-14(2)11-5-3-10(4-6-11)12-9-13-7-8-15-12/h3-6,12-13H,7-9H2,1-2H3/t12-/m1/s1/i7D2
InChIKeyASFKELOGBBCCOB-YDYFSBEESA-N
MW208.30 g/mol
LogP1.41
Rot. Bonds2

About 4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline

4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline (PubChem CID 176629701) has the molecular formula C12H18N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline
PubChem CID176629701
Molecular FormulaC12H18N2O
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline
SMILES[2H]C1([2H])CO[C@@H](c2ccc(N(C)C)cc2)CN1
InChIInChI=1S/C12H18N2O/c1-14(2)11-5-3-10(4-6-11)12-9-13-7-8-15-12/h3-6,12-13H,7-9H2,1-2H3/t12-/m1/s1/i7D2
InChIKeyASFKELOGBBCCOB-YDYFSBEESA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-5,5-dideuterio-2-(6-methyl-2-pyridinyl)morpholine
CID 175885306
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine
CID 129407390
N,N-dimethyl-4-[(2R,5R)-5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
CID 794908
(2S)-2-(4-methylsulfonylphenyl)morpholine
CID 93302356
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
azane;2-phenylmorpholine
CID 174664757
N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride
CID 19390920
2-fluoro-N,N-dimethyl-6-morpholin-2-ylaniline
CID 115111854
(2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine
CID 67135313
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
2-(3,4-dimethylphenyl)morpholine
CID 43169342

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline (CID 176629701) is 4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline is [2H]C1([2H])CO[C@@H](c2ccc(N(C)C)cc2)CN1.
What is the InChIKey of 4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline?
The InChIKey is ASFKELOGBBCCOB-YDYFSBEESA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(2)11-5-3-10(4-6-11)12-9-13-7-8-15-12/h3-6,12-13H,7-9H2,1-2H3/t12-/m1/s1/i7D2.
What are the key properties of 4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline?
4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline has a molecular weight of 208.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-5,5-dideuteriomorpholin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 176629701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).