1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone

C16H20ClNO3 — CID 95336958

IUPAC1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone
SMILESO=C(COCC1CC1)N1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C16H20ClNO3/c17-14-4-2-1-3-13(14)15-9-18(7-8-21-15)16(19)11-20-10-12-5-6-12/h1-4,12,15H,5-11H2/t15-/m0/s1
InChIKeyABDRCSQYXZBDRM-HNNXBMFYSA-N
MW309.79 g/mol
LogP2.67
Rot. Bonds5

About 1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone

1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone (PubChem CID 95336958) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone
PubChem CID95336958
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone
SMILESO=C(COCC1CC1)N1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C16H20ClNO3/c17-14-4-2-1-3-13(14)15-9-18(7-8-21-15)16(19)11-20-10-12-5-6-12/h1-4,12,15H,5-11H2/t15-/m0/s1
InChIKeyABDRCSQYXZBDRM-HNNXBMFYSA-N
XLogP2.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)morpholin-4-yl]-2-(2-methoxyphenoxy)ethanone
CID 110326874
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110326851
2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide
CID 166237814
7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119774901
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 124695340
1-[2-(2-chlorophenyl)morpholin-4-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110356589
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 95326549
2-(cyclopropylmethoxy)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 167785665
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone?
The IUPAC name of 1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone (CID 95336958) is 1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone?
The canonical SMILES for 1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone is O=C(COCC1CC1)N1CCO[C@H](c2ccccc2Cl)C1.
What is the InChIKey of 1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone?
The InChIKey is ABDRCSQYXZBDRM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-14-4-2-1-3-13(14)15-9-18(7-8-21-15)16(19)11-20-10-12-5-6-12/h1-4,12,15H,5-11H2/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone?
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone has a molecular weight of 309.79 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone is sourced from PubChem (CID 95336958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).