3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C21H28N2O — CID 54226596

IUPAC3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCc1cc(C)cc(C=Cc2nc(C)ccc2OCCCN(C)C)c1
InChIInChI=1S/C21H28N2O/c1-16-13-17(2)15-19(14-16)8-9-20-21(10-7-18(3)22-20)24-12-6-11-23(4)5/h7-10,13-15H,6,11-12H2,1-5H3
InChIKeyQGHDGXBGUUKSRX-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.51
Rot. Bonds7

About 3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 54226596) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID54226596
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCc1cc(C)cc(C=Cc2nc(C)ccc2OCCCN(C)C)c1
InChIInChI=1S/C21H28N2O/c1-16-13-17(2)15-19(14-16)8-9-20-21(10-7-18(3)22-20)24-12-6-11-23(4)5/h7-10,13-15H,6,11-12H2,1-5H3
InChIKeyQGHDGXBGUUKSRX-UHFFFAOYSA-N
XLogP4.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine
CID 54529314
3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine;[3-(hydroxymethyl)-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenyl]methanol
CID 158981212
2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 54137444
3-[3-(dimethylamino)propoxy]-6-methylpyridin-2-amine
CID 114524613
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol
CID 114525688
2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine
CID 18763226
3-(6-methyl-3-pentoxy-2-pyridinyl)prop-2-enoic acid
CID 79169473
(E)-3-[3-(2-fluoroethoxy)-6-methyl-2-pyridinyl]prop-2-enoic acid
CID 80693658
3-[3-(4-methoxy-4-oxobutoxy)-6-methyl-2-pyridinyl]prop-2-enoic acid
CID 79169712
(E)-3-[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]prop-2-enoic acid
CID 115514451
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916311

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 54226596) is 3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is Cc1cc(C)cc(C=Cc2nc(C)ccc2OCCCN(C)C)c1.
What is the InChIKey of 3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is QGHDGXBGUUKSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16-13-17(2)15-19(14-16)8-9-20-21(10-7-18(3)22-20)24-12-6-11-23(4)5/h7-10,13-15H,6,11-12H2,1-5H3.
What are the key properties of 3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 324.47 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(3,5-dimethylphenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 54226596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).