1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol

C21H27NO3 — CID 110888215

IUPAC1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol
SMILESCC1COCCN1CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-17-15-24-13-12-22(17)14-20(23)16-25-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,23H,12-16H2,1H3
InChIKeyMCXPUEAILYGKKB-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.87
Rot. Bonds7

About 1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol

1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol (PubChem CID 110888215) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol
PubChem CID110888215
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol
SMILESCC1COCCN1CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-17-15-24-13-12-22(17)14-20(23)16-25-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,23H,12-16H2,1H3
InChIKeyMCXPUEAILYGKKB-UHFFFAOYSA-N
XLogP2.87
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(3-methylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 62619774
1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110888300
1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 110888294
3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide
CID 43542129
(2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol
CID 124814286
1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 4224882
(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 7746132
ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate
CID 82775567
1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 115474924
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
2-(3-methylmorpholin-4-yl)-1-(2-methylphenyl)ethanamine
CID 43542047
(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 2327371

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol (CID 110888215) is 1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol is CC1COCCN1CC(O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol?
The InChIKey is MCXPUEAILYGKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-17-15-24-13-12-22(17)14-20(23)16-25-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,23H,12-16H2,1H3.
What are the key properties of 1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol?
1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol has a molecular weight of 341.45 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 110888215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).