3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline

C17H23N3O — CID 84591765

IUPAC3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline
SMILESCOc1ccnc(CN(C)Cc2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H23N3O/c1-19(2)16-7-5-6-14(10-16)12-20(3)13-15-11-17(21-4)8-9-18-15/h5-11H,12-13H2,1-4H3
InChIKeySKHGUZZQTAXGRK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.79
Rot. Bonds6

About 3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline

3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline (PubChem CID 84591765) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline
PubChem CID84591765
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline
SMILESCOc1ccnc(CN(C)Cc2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H23N3O/c1-19(2)16-7-5-6-14(10-16)12-20(3)13-15-11-17(21-4)8-9-18-15/h5-11H,12-13H2,1-4H3
InChIKeySKHGUZZQTAXGRK-UHFFFAOYSA-N
XLogP2.79
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline (CID 84591765) is 3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline is COc1ccnc(CN(C)Cc2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline?
The InChIKey is SKHGUZZQTAXGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19(2)16-7-5-6-14(10-16)12-20(3)13-15-11-17(21-4)8-9-18-15/h5-11H,12-13H2,1-4H3.
What are the key properties of 3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline?
3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline has a molecular weight of 285.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxy-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 84591765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).