3,4-dimethyl-3-phenylmorpholine

C12H17NO — CID 140995655

IUPAC3,4-dimethyl-3-phenylmorpholine
SMILESCN1CCOCC1(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-12(10-14-9-8-13(12)2)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyXTNOGJKWKVXJTP-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.86
Rot. Bonds1

About 3,4-dimethyl-3-phenylmorpholine

3,4-dimethyl-3-phenylmorpholine (PubChem CID 140995655) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3,4-dimethyl-3-phenylmorpholine.

Molecular Properties

Compound Name3,4-dimethyl-3-phenylmorpholine
PubChem CID140995655
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3,4-dimethyl-3-phenylmorpholine
SMILESCN1CCOCC1(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-12(10-14-9-8-13(12)2)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyXTNOGJKWKVXJTP-UHFFFAOYSA-N
XLogP1.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine
CID 150280897
2-methyl-2-phenyl-1,4-dioxane
CID 154111008
7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one
CID 154760796
(2R,3R)-1,2-dimethyl-2,3-diphenylpyrrolidin-3-ol
CID 125492615
CID 102302966
CID 102302966
(5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane
CID 129430000
(2S)-2-methyl-2-phenyloxirane
CID 11629614
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
3-fluoro-3-phenyloxolane
CID 84717126
4-(3-bromo-2-phenylpropyl)-3,3-dimethylmorpholine
CID 65016564
13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane
CID 102474294

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3-phenylmorpholine?
The IUPAC name of 3,4-dimethyl-3-phenylmorpholine (CID 140995655) is 3,4-dimethyl-3-phenylmorpholine.
What is the SMILES notation for 3,4-dimethyl-3-phenylmorpholine?
The canonical SMILES for 3,4-dimethyl-3-phenylmorpholine is CN1CCOCC1(C)c1ccccc1.
What is the InChIKey of 3,4-dimethyl-3-phenylmorpholine?
The InChIKey is XTNOGJKWKVXJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(10-14-9-8-13(12)2)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 3,4-dimethyl-3-phenylmorpholine?
3,4-dimethyl-3-phenylmorpholine has a molecular weight of 191.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3-phenylmorpholine is sourced from PubChem (CID 140995655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).