3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline

C17H23N3O — CID 83111619

IUPAC3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline
SMILESCCNC(C)c1ccc(Oc2cccc(N(C)C)c2)cn1
InChIInChI=1S/C17H23N3O/c1-5-18-13(2)17-10-9-16(12-19-17)21-15-8-6-7-14(11-15)20(3)4/h6-13,18H,5H2,1-4H3
InChIKeyJZFUWFSSPTZTSK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.61
Rot. Bonds6

About 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline

3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline (PubChem CID 83111619) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline
PubChem CID83111619
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline
SMILESCCNC(C)c1ccc(Oc2cccc(N(C)C)c2)cn1
InChIInChI=1S/C17H23N3O/c1-5-18-13(2)17-10-9-16(12-19-17)21-15-8-6-7-14(11-15)20(3)4/h6-13,18H,5H2,1-4H3
InChIKeyJZFUWFSSPTZTSK-UHFFFAOYSA-N
XLogP3.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline?
The IUPAC name of 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline (CID 83111619) is 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline is CCNC(C)c1ccc(Oc2cccc(N(C)C)c2)cn1.
What is the InChIKey of 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline?
The InChIKey is JZFUWFSSPTZTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-18-13(2)17-10-9-16(12-19-17)21-15-8-6-7-14(11-15)20(3)4/h6-13,18H,5H2,1-4H3.
What are the key properties of 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline?
3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline has a molecular weight of 285.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline is sourced from PubChem (CID 83111619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).