2-(3,4-dimethylphenyl)morpholine

C12H17NO — CID 43169342

IUPAC2-(3,4-dimethylphenyl)morpholine
SMILESCc1ccc(C2CNCCO2)cc1C
InChIInChI=1S/C12H17NO/c1-9-3-4-11(7-10(9)2)12-8-13-5-6-14-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyVBIOVINWDHUDRA-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.96
Rot. Bonds1

About 2-(3,4-dimethylphenyl)morpholine

2-(3,4-dimethylphenyl)morpholine (PubChem CID 43169342) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)morpholine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)morpholine
PubChem CID43169342
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(3,4-dimethylphenyl)morpholine
SMILESCc1ccc(C2CNCCO2)cc1C
InChIInChI=1S/C12H17NO/c1-9-3-4-11(7-10(9)2)12-8-13-5-6-14-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyVBIOVINWDHUDRA-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

2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine
CID 174742097
2-(2-bromo-3,6-dimethylphenyl)morpholine
CID 84808936
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
2-bromo-4-morpholin-2-ylphenol
CID 82623546
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)morpholine?
The IUPAC name of 2-(3,4-dimethylphenyl)morpholine (CID 43169342) is 2-(3,4-dimethylphenyl)morpholine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)morpholine?
The canonical SMILES for 2-(3,4-dimethylphenyl)morpholine is Cc1ccc(C2CNCCO2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)morpholine?
The InChIKey is VBIOVINWDHUDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-4-11(7-10(9)2)12-8-13-5-6-14-12/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)morpholine?
2-(3,4-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 2-(3,4-dimethylphenyl)morpholine is sourced from PubChem (CID 43169342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).