2-(4-chlorophenyl)-3,5-dimethylmorpholine

C12H16ClNO — CID 43367104

IUPAC2-(4-chlorophenyl)-3,5-dimethylmorpholine
SMILESCC1COC(c2ccc(Cl)cc2)C(C)N1
InChIInChI=1S/C12H16ClNO/c1-8-7-15-12(9(2)14-8)10-3-5-11(13)6-4-10/h3-6,8-9,12,14H,7H2,1-2H3
InChIKeyPQTJTZJDYFBNEK-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.78
Rot. Bonds1

About 2-(4-chlorophenyl)-3,5-dimethylmorpholine

2-(4-chlorophenyl)-3,5-dimethylmorpholine (PubChem CID 43367104) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,5-dimethylmorpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,5-dimethylmorpholine
PubChem CID43367104
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-(4-chlorophenyl)-3,5-dimethylmorpholine
SMILESCC1COC(c2ccc(Cl)cc2)C(C)N1
InChIInChI=1S/C12H16ClNO/c1-8-7-15-12(9(2)14-8)10-3-5-11(13)6-4-10/h3-6,8-9,12,14H,7H2,1-2H3
InChIKeyPQTJTZJDYFBNEK-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-5-methylmorpholine
CID 57226628
2-(4-chlorophenyl)-3-methyl-1,4-oxazepane
CID 43498435
(5S)-3,5-dimethyl-2-(2,4,5-trifluorophenyl)morpholine;hydrochloride
CID 67655985
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
5-ethyl-3-methyl-2-(4-methylphenyl)morpholine
CID 43366887
5-ethyl-2-(4-methoxyphenyl)-3-methylmorpholine
CID 43366886
5-(4-chlorophenyl)-4-methyloxathiazolidine 2-oxide
CID 175220148
2-(4-chlorophenyl)-6-cyclopropyl-3-methylmorpholine
CID 63297543
4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride
CID 117228645
(2R,3R,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethyloxan-4-ol
CID 139065834
3-(4-chlorophenyl)oxetane
CID 130113875
5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one
CID 154520608

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,5-dimethylmorpholine?
The IUPAC name of 2-(4-chlorophenyl)-3,5-dimethylmorpholine (CID 43367104) is 2-(4-chlorophenyl)-3,5-dimethylmorpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-3,5-dimethylmorpholine?
The canonical SMILES for 2-(4-chlorophenyl)-3,5-dimethylmorpholine is CC1COC(c2ccc(Cl)cc2)C(C)N1.
What is the InChIKey of 2-(4-chlorophenyl)-3,5-dimethylmorpholine?
The InChIKey is PQTJTZJDYFBNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-7-15-12(9(2)14-8)10-3-5-11(13)6-4-10/h3-6,8-9,12,14H,7H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3,5-dimethylmorpholine?
2-(4-chlorophenyl)-3,5-dimethylmorpholine has a molecular weight of 225.72 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,5-dimethylmorpholine is sourced from PubChem (CID 43367104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).