3-(2,6-dimethylphenyl)morpholine

C12H17NO — CID 55298000

IUPAC3-(2,6-dimethylphenyl)morpholine
SMILESCc1cccc(C)c1C1COCCN1
InChIInChI=1S/C12H17NO/c1-9-4-3-5-10(2)12(9)11-8-14-7-6-13-11/h3-5,11,13H,6-8H2,1-2H3
InChIKeyTZNOEYCQIPFBIH-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.96
Rot. Bonds1

About 3-(2,6-dimethylphenyl)morpholine

3-(2,6-dimethylphenyl)morpholine (PubChem CID 55298000) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)morpholine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)morpholine
PubChem CID55298000
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(2,6-dimethylphenyl)morpholine
SMILESCc1cccc(C)c1C1COCCN1
InChIInChI=1S/C12H17NO/c1-9-4-3-5-10(2)12(9)11-8-14-7-6-13-11/h3-5,11,13H,6-8H2,1-2H3
InChIKeyTZNOEYCQIPFBIH-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
CID 131479210
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450
3-bromo-6-methyl-2-morpholin-3-ylphenol
CID 84809565
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
3-methoxy-2-[(3R)-morpholin-3-yl]phenol
CID 131502010
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol
CID 131417656
3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971569

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)morpholine?
The IUPAC name of 3-(2,6-dimethylphenyl)morpholine (CID 55298000) is 3-(2,6-dimethylphenyl)morpholine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)morpholine?
The canonical SMILES for 3-(2,6-dimethylphenyl)morpholine is Cc1cccc(C)c1C1COCCN1.
What is the InChIKey of 3-(2,6-dimethylphenyl)morpholine?
The InChIKey is TZNOEYCQIPFBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-3-5-10(2)12(9)11-8-14-7-6-13-11/h3-5,11,13H,6-8H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)morpholine?
3-(2,6-dimethylphenyl)morpholine has a molecular weight of 191.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)morpholine is sourced from PubChem (CID 55298000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).