2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol

C28H44N2O2Sn — CID 67384659

IUPAC2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C=Cc2ccc(NC)cc2)cnc1OCCO
InChIInChI=1S/C16H17N2O2.3C4H9.Sn/c1-17-15-7-4-13(5-8-15)2-3-14-6-9-16(18-12-14)20-11-10-19;3*1-3-4-2;/h2-8,12,17,19H,10-11H2,1H3;3*1,3-4H2,2H3;
InChIKeySHQLSTVJDOCJKB-UHFFFAOYSA-N
MW559.38 g/mol
LogP6.72
Rot. Bonds16

About 2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol

2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol (PubChem CID 67384659) has the molecular formula C28H44N2O2Sn and a molecular weight of 559.38 g/mol. Its IUPAC name is 2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol
PubChem CID67384659
Molecular FormulaC28H44N2O2Sn
Molecular Weight559.38 g/mol
Exact Mass560.24
IUPAC Name2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C=Cc2ccc(NC)cc2)cnc1OCCO
InChIInChI=1S/C16H17N2O2.3C4H9.Sn/c1-17-15-7-4-13(5-8-15)2-3-14-6-9-16(18-12-14)20-11-10-19;3*1-3-4-2;/h2-8,12,17,19H,10-11H2,1H3;3*1,3-4H2,2H3;
InChIKeySHQLSTVJDOCJKB-UHFFFAOYSA-N
XLogP6.72
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.38
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol
CID 67384502
2-[3-(123I)iodo-5-[2-[4-(methylamino)phenyl]ethenyl]phenoxy]ethanol
CID 91579470
4-[2-[5-bromo-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 91048351
2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol
CID 67384509
4-[4-(methylamino)phenyl]but-3-en-1-ol
CID 170476280
4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline
CID 72533525
4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline
CID 59510830
N-methyl-4-tributylstannylpyridin-2-amine
CID 71270035
4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline
CID 45485172
3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane
CID 161255414
N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide
CID 11503325
4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 89181117

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol (CID 67384659) is 2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol is CCCC[Sn](CCCC)(CCCC)c1cc(C=Cc2ccc(NC)cc2)cnc1OCCO.
What is the InChIKey of 2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol?
The InChIKey is SHQLSTVJDOCJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N2O2.3C4H9.Sn/c1-17-15-7-4-13(5-8-15)2-3-14-6-9-16(18-12-14)20-11-10-19;3*1-3-4-2;/h2-8,12,17,19H,10-11H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of 2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol?
2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol has a molecular weight of 559.38 g/mol, XLogP of 6.72, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-[4-(methylamino)phenyl]ethenyl]-3-tributylstannyl-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 67384659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).