N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine

C17H22N2O — CID 46781433

IUPACN,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine
SMILES[2H]c1c([2H])c([2H])c(C(C)(OCCN(C)C)c2ccccn2)c([2H])c1[2H]
InChIInChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3/i4D,5D,6D,9D,10D
InChIKeyHCFDWZZGGLSKEP-NPMXJOAUSA-N
MW275.41 g/mol
LogP2.92
Rot. Bonds6

About N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine

N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine (PubChem CID 46781433) has the molecular formula C17H22N2O and a molecular weight of 275.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine
PubChem CID46781433
Molecular FormulaC17H22N2O
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine
SMILES[2H]c1c([2H])c([2H])c(C(C)(OCCN(C)C)c2ccccn2)c([2H])c1[2H]
InChIInChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3/i4D,5D,6D,9D,10D
InChIKeyHCFDWZZGGLSKEP-NPMXJOAUSA-N
XLogP2.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine (CID 46781433) is N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine is [2H]c1c([2H])c([2H])c(C(C)(OCCN(C)C)c2ccccn2)c([2H])c1[2H].
What is the InChIKey of N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine?
The InChIKey is HCFDWZZGGLSKEP-NPMXJOAUSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3/i4D,5D,6D,9D,10D.
What are the key properties of N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine?
N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine has a molecular weight of 275.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine is sourced from PubChem (CID 46781433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).