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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Related Compounds

4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866274
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
3-[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]propanoic acid
CID 22681315
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide
CID 142798372
1-(3,4-dimethoxyphenyl)-2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]guanidine
CID 111100951
(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 78933373
4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene
CID 81421870
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
tert-butyl 2-[[5-[3-(3,4-dimethoxyphenyl)propyl]-3-pyridinyl]oxy]acetate
CID 167288187

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).