4-(4-ethynylphenyl)-2,6-dimethylmorpholine

C14H17NO — CID 22494643

IUPAC4-(4-ethynylphenyl)-2,6-dimethylmorpholine
SMILESC#Cc1ccc(N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C14H17NO/c1-4-13-5-7-14(8-6-13)15-9-11(2)16-12(3)10-15/h1,5-8,11-12H,9-10H2,2-3H3
InChIKeyHCDOURPNTHYJMO-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.28
Rot. Bonds1

About 4-(4-ethynylphenyl)-2,6-dimethylmorpholine

4-(4-ethynylphenyl)-2,6-dimethylmorpholine (PubChem CID 22494643) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(4-ethynylphenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-ethynylphenyl)-2,6-dimethylmorpholine
PubChem CID22494643
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(4-ethynylphenyl)-2,6-dimethylmorpholine
SMILESC#Cc1ccc(N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C14H17NO/c1-4-13-5-7-14(8-6-13)15-9-11(2)16-12(3)10-15/h1,5-8,11-12H,9-10H2,2-3H3
InChIKeyHCDOURPNTHYJMO-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
CID 171714626
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde
CID 28603596
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
4-(4-azidophenyl)-2,6-dimethylmorpholine
CID 150027576
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 43505904
(2R,6R)-2,6-dimethyl-4-(4-nitrophenyl)morpholine
CID 7062388
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
(1R)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
CID 114066341
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethynylphenyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-ethynylphenyl)-2,6-dimethylmorpholine (CID 22494643) is 4-(4-ethynylphenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-ethynylphenyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-ethynylphenyl)-2,6-dimethylmorpholine is C#Cc1ccc(N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 4-(4-ethynylphenyl)-2,6-dimethylmorpholine?
The InChIKey is HCDOURPNTHYJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-13-5-7-14(8-6-13)15-9-11(2)16-12(3)10-15/h1,5-8,11-12H,9-10H2,2-3H3.
What are the key properties of 4-(4-ethynylphenyl)-2,6-dimethylmorpholine?
4-(4-ethynylphenyl)-2,6-dimethylmorpholine has a molecular weight of 215.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethynylphenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 22494643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).