4-(3,4,5-trimethylphenyl)morpholine

C13H19NO — CID 21029028

IUPAC4-(3,4,5-trimethylphenyl)morpholine
SMILESCc1cc(N2CCOCC2)cc(C)c1C
InChIInChI=1S/C13H19NO/c1-10-8-13(9-11(2)12(10)3)14-4-6-15-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyLFUCWXOPWYFDBA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.45
Rot. Bonds1

About 4-(3,4,5-trimethylphenyl)morpholine

4-(3,4,5-trimethylphenyl)morpholine (PubChem CID 21029028) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(3,4,5-trimethylphenyl)morpholine.

Molecular Properties

Compound Name4-(3,4,5-trimethylphenyl)morpholine
PubChem CID21029028
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(3,4,5-trimethylphenyl)morpholine
SMILESCc1cc(N2CCOCC2)cc(C)c1C
InChIInChI=1S/C13H19NO/c1-10-8-13(9-11(2)12(10)3)14-4-6-15-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyLFUCWXOPWYFDBA-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethylphenyl)morpholine?
The IUPAC name of 4-(3,4,5-trimethylphenyl)morpholine (CID 21029028) is 4-(3,4,5-trimethylphenyl)morpholine.
What is the SMILES notation for 4-(3,4,5-trimethylphenyl)morpholine?
The canonical SMILES for 4-(3,4,5-trimethylphenyl)morpholine is Cc1cc(N2CCOCC2)cc(C)c1C.
What is the InChIKey of 4-(3,4,5-trimethylphenyl)morpholine?
The InChIKey is LFUCWXOPWYFDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-8-13(9-11(2)12(10)3)14-4-6-15-7-5-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(3,4,5-trimethylphenyl)morpholine?
4-(3,4,5-trimethylphenyl)morpholine has a molecular weight of 205.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethylphenyl)morpholine is sourced from PubChem (CID 21029028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).