2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine

C18H21ClN2O — CID 54137444

IUPAC2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCc1ccc(OCCN(C)C)c(C=Cc2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN2O/c1-14-7-10-18(22-12-11-21(2)3)17(20-14)9-8-15-5-4-6-16(19)13-15/h4-10,13H,11-12H2,1-3H3
InChIKeyNYSFCQFARZRPQA-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.15
Rot. Bonds6

About 2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine

2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine (PubChem CID 54137444) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine
PubChem CID54137444
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCc1ccc(OCCN(C)C)c(C=Cc2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN2O/c1-14-7-10-18(22-12-11-21(2)3)17(20-14)9-8-15-5-4-6-16(19)13-15/h4-10,13H,11-12H2,1-3H3
InChIKeyNYSFCQFARZRPQA-UHFFFAOYSA-N
XLogP4.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine (CID 54137444) is 2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine is Cc1ccc(OCCN(C)C)c(C=Cc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The InChIKey is NYSFCQFARZRPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14-7-10-18(22-12-11-21(2)3)17(20-14)9-8-15-5-4-6-16(19)13-15/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine?
2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine has a molecular weight of 316.83 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 54137444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).