3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C19H26N2O4 — CID 22989741

IUPAC3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(COc2cncc(OCCCN(C)C)c2)cc1OC
InChIInChI=1S/C19H26N2O4/c1-21(2)8-5-9-24-16-11-17(13-20-12-16)25-14-15-6-7-18(22-3)19(10-15)23-4/h6-7,10-13H,5,8-9,14H2,1-4H3
InChIKeyROWAOZYDSRYLAA-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.01
Rot. Bonds10

About 3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 22989741) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID22989741
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(COc2cncc(OCCCN(C)C)c2)cc1OC
InChIInChI=1S/C19H26N2O4/c1-21(2)8-5-9-24-16-11-17(13-20-12-16)25-14-15-6-7-18(22-3)19(10-15)23-4/h6-7,10-13H,5,8-9,14H2,1-4H3
InChIKeyROWAOZYDSRYLAA-UHFFFAOYSA-N
XLogP3.01
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 22989741) is 3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is COc1ccc(COc2cncc(OCCCN(C)C)c2)cc1OC.
What is the InChIKey of 3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is ROWAOZYDSRYLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-21(2)8-5-9-24-16-11-17(13-20-12-16)25-14-15-6-7-18(22-3)19(10-15)23-4/h6-7,10-13H,5,8-9,14H2,1-4H3.
What are the key properties of 3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 346.43 g/mol, XLogP of 3.01, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 22989741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).