2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol

C21H27NO3 — CID 56862185

IUPAC2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol
SMILESOCC(CO)N1CCOC(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H27NO3/c23-15-19(16-24)22-11-12-25-20(14-22)13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21,23-24H,11-16H2
InChIKeyNXRABNNPCSKXFK-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.26
Rot. Bonds7

About 2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol

2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol (PubChem CID 56862185) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol
PubChem CID56862185
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol
SMILESOCC(CO)N1CCOC(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H27NO3/c23-15-19(16-24)22-11-12-25-20(14-22)13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21,23-24H,11-16H2
InChIKeyNXRABNNPCSKXFK-UHFFFAOYSA-N
XLogP2.26
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,2-diphenylethyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 26412398
cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone
CID 45196089
1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione
CID 42376886
1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one
CID 25367584
3-[(2R)-2-(2,2-diphenylethyl)morpholin-4-yl]-N,N-dimethylpropanamide
CID 95468828
4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine
CID 95551297
2-(2-ethylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 43562634
2-(2-ethylmorpholin-4-yl)-N-methyl-2-phenylethanamine
CID 62433539
4-[(2R)-2-(2,2-diphenylethyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95552033
4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95552034
(2R)-2-morpholin-4-yl-3-phenylpropan-1-ol
CID 107861547
4-(1-phenylpropyl)morpholine-2-carboxylic acid
CID 65067366

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol?
The IUPAC name of 2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol (CID 56862185) is 2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol?
The canonical SMILES for 2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol is OCC(CO)N1CCOC(CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol?
The InChIKey is NXRABNNPCSKXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c23-15-19(16-24)22-11-12-25-20(14-22)13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21,23-24H,11-16H2.
What are the key properties of 2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol?
2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol has a molecular weight of 341.45 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol is sourced from PubChem (CID 56862185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).