(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone

C13H16ClNO2 — CID 3516702

IUPAC(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C13H16ClNO2/c1-9-7-15(8-10(2)17-9)13(16)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8H2,1-2H3
InChIKeySLCIRAOVSRQHNA-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.59
Rot. Bonds1

About (2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone

(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 3516702) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID3516702
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C13H16ClNO2/c1-9-7-15(8-10(2)17-9)13(16)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8H2,1-2H3
InChIKeySLCIRAOVSRQHNA-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 113331638
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27660944
(3-amino-2-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957666
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
2-chloro-N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
CID 695632
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 47004692
[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate
CID 669506
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
CID 103933005
(3-chloro-2-fluorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937575
(2-chloro-3-nitrophenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958547

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 3516702) is (2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccccc2Cl)CC(C)O1.
What is the InChIKey of (2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is SLCIRAOVSRQHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-7-15(8-10(2)17-9)13(16)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of (2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 3516702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).