2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine

C17H22N2O — CID 174733766

IUPAC2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine
SMILESCc1c(OCCN(C)C)ccc(-c2ccccn2)c1C
InChIInChI=1S/C17H22N2O/c1-13-14(2)17(20-12-11-19(3)4)9-8-15(13)16-7-5-6-10-18-16/h5-10H,11-12H2,1-4H3
InChIKeyZKTJDODXJRNZDU-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.31
Rot. Bonds5

About 2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine

2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine (PubChem CID 174733766) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine
PubChem CID174733766
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine
SMILESCc1c(OCCN(C)C)ccc(-c2ccccn2)c1C
InChIInChI=1S/C17H22N2O/c1-13-14(2)17(20-12-11-19(3)4)9-8-15(13)16-7-5-6-10-18-16/h5-10H,11-12H2,1-4H3
InChIKeyZKTJDODXJRNZDU-UHFFFAOYSA-N
XLogP3.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine (CID 174733766) is 2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine is Cc1c(OCCN(C)C)ccc(-c2ccccn2)c1C.
What is the InChIKey of 2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine?
The InChIKey is ZKTJDODXJRNZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-14(2)17(20-12-11-19(3)4)9-8-15(13)16-7-5-6-10-18-16/h5-10H,11-12H2,1-4H3.
What are the key properties of 2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine?
2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 174733766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).