(2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol

C17H25ClN2O4 — CID 45361280

IUPAC(2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
SMILESOC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)C(N2CCOCC2)[C@@H]1O
InChIInChI=1S/C17H25ClN2O4/c18-13-3-1-2-12(8-13)9-19-10-14-16(17(22)15(11-21)24-14)20-4-6-23-7-5-20/h1-3,8,14-17,19,21-22H,4-7,9-11H2/t14-,15+,16?,17-/m1/s1
InChIKeyOJZZOFBTOMSNDT-FCLJQHQZSA-N
MW356.85 g/mol
LogP0.25
Rot. Bonds6

About (2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol

(2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol (PubChem CID 45361280) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is (2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
PubChem CID45361280
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name(2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
SMILESOC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)C(N2CCOCC2)[C@@H]1O
InChIInChI=1S/C17H25ClN2O4/c18-13-3-1-2-12(8-13)9-19-10-14-16(17(22)15(11-21)24-14)20-4-6-23-7-5-20/h1-3,8,14-17,19,21-22H,4-7,9-11H2/t14-,15+,16?,17-/m1/s1
InChIKeyOJZZOFBTOMSNDT-FCLJQHQZSA-N
XLogP0.25
TPSA74.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4R,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-(4-phenylpiperazin-1-yl)oxolan-3-ol;trihydrochloride
CID 146118605
(2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
CID 28961215
5-[(benzylamino)methyl]-2-(hydroxymethyl)-4-(4-phenylpiperazin-1-yl)oxolan-3-ol
CID 163121835
1-(3-chlorophenyl)-3-[[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]urea
CID 162796889
1-(3-chlorophenyl)-3-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-phenylpiperazin-1-yl)oxolan-2-yl]methyl]urea;dihydrochloride
CID 146118593
1-(3-chlorophenyl)-3-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-methylpiperazin-1-yl)oxolan-2-yl]methyl]urea;dihydrochloride
CID 146118680
5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]oxolan-3-ol
CID 74578196
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide;dihydrochloride
CID 146118760
4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol
CID 66775041
(2R,3R,4S)-2-[[(3-chlorophenyl)methylamino]methyl]pyrrolidine-3,4-diol
CID 11097212

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
The IUPAC name of (2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol (CID 45361280) is (2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol.
What is the SMILES notation for (2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
The canonical SMILES for (2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol is OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)C(N2CCOCC2)[C@@H]1O.
What is the InChIKey of (2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
The InChIKey is OJZZOFBTOMSNDT-FCLJQHQZSA-N. The full InChI is InChI=1S/C17H25ClN2O4/c18-13-3-1-2-12(8-13)9-19-10-14-16(17(22)15(11-21)24-14)20-4-6-23-7-5-20/h1-3,8,14-17,19,21-22H,4-7,9-11H2/t14-,15+,16?,17-/m1/s1.
What are the key properties of (2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
(2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol has a molecular weight of 356.85 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol is sourced from PubChem (CID 45361280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).