[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone

C18H24ClNO3 — CID 95620407

IUPAC[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
SMILESC[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C1(C)CCOCC1
InChIInChI=1S/C18H24ClNO3/c1-13-12-23-16(14-5-3-4-6-15(14)19)11-20(13)17(21)18(2)7-9-22-10-8-18/h3-6,13,16H,7-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyATTDWGOLSAFQBZ-CJNGLKHVSA-N
MW337.85 g/mol
LogP3.45
Rot. Bonds2

About [(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone

[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone (PubChem CID 95620407) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is [(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone.

Molecular Properties

Compound Name[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
PubChem CID95620407
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
SMILESC[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C1(C)CCOCC1
InChIInChI=1S/C18H24ClNO3/c1-13-12-23-16(14-5-3-4-6-15(14)19)11-20(13)17(21)18(2)7-9-22-10-8-18/h3-6,13,16H,7-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyATTDWGOLSAFQBZ-CJNGLKHVSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 56786709
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538497
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 119784353
3-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094799
3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094798
[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 96511165
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124568472

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone?
The IUPAC name of [(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone (CID 95620407) is [(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone.
What is the SMILES notation for [(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone?
The canonical SMILES for [(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone is C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C1(C)CCOCC1.
What is the InChIKey of [(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone?
The InChIKey is ATTDWGOLSAFQBZ-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-13-12-23-16(14-5-3-4-6-15(14)19)11-20(13)17(21)18(2)7-9-22-10-8-18/h3-6,13,16H,7-12H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of [(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone?
[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone has a molecular weight of 337.85 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone is sourced from PubChem (CID 95620407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).