(2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol

C15H22ClNO3 — CID 124621379

IUPAC(2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C
InChIInChI=1S/C15H22ClNO3/c1-11-9-20-15(12-4-3-5-13(16)6-12)8-17(11)7-14(18)10-19-2/h3-6,11,14-15,18H,7-10H2,1-2H3/t11-,14+,15+/m1/s1
InChIKeyTXSZONYEDFRDCI-UGFHNGPFSA-N
MW299.80 g/mol
LogP2.11
Rot. Bonds5

About (2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol

(2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol (PubChem CID 124621379) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is (2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol
PubChem CID124621379
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name(2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C
InChIInChI=1S/C15H22ClNO3/c1-11-9-20-15(12-4-3-5-13(16)6-12)8-17(11)7-14(18)10-19-2/h3-6,11,14-15,18H,7-10H2,1-2H3/t11-,14+,15+/m1/s1
InChIKeyTXSZONYEDFRDCI-UGFHNGPFSA-N
XLogP2.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 99828049
2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine
CID 167753282
(2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 99828071
2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine
CID 124621384
(2S,5S)-2-(3-chlorophenyl)-5-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine
CID 125138246
1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
CID 166417422
(2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine
CID 99828055
(2R,5R)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825536
(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825537
1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619075
1-[3-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 51077725
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619076

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol?
The IUPAC name of (2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol (CID 124621379) is (2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol is COC[C@@H](O)CN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C.
What is the InChIKey of (2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol?
The InChIKey is TXSZONYEDFRDCI-UGFHNGPFSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-11-9-20-15(12-4-3-5-13(16)6-12)8-17(11)7-14(18)10-19-2/h3-6,11,14-15,18H,7-10H2,1-2H3/t11-,14+,15+/m1/s1.
What are the key properties of (2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol?
(2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol has a molecular weight of 299.80 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 124621379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).