[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone

C16H22ClNO3 — CID 114781126

IUPAC[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C16H22ClNO3/c1-11-5-6-14(20-4)13(7-11)15(19)18-9-12(8-17)21-16(2,3)10-18/h5-7,12H,8-10H2,1-4H3
InChIKeyFLPVMIWLGXIGPV-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.86
Rot. Bonds3

About [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone (PubChem CID 114781126) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
PubChem CID114781126
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C16H22ClNO3/c1-11-5-6-14(20-4)13(7-11)15(19)18-9-12(8-17)21-16(2,3)10-18/h5-7,12H,8-10H2,1-4H3
InChIKeyFLPVMIWLGXIGPV-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114782050
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 114781526
(2-bromo-5-methylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114777027
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 114782044
(5-chloro-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781270
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 114781299
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(4-chloro-3-methylphenyl)methanone
CID 114781262
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-chloro-4-methylphenyl)methanone
CID 114781128
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
(5-bromo-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781392
(2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776038

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone (CID 114781126) is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)N1CC(CCl)OC(C)(C)C1.
What is the InChIKey of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is FLPVMIWLGXIGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-11-5-6-14(20-4)13(7-11)15(19)18-9-12(8-17)21-16(2,3)10-18/h5-7,12H,8-10H2,1-4H3.
What are the key properties of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone?
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 311.81 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 114781126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).