4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde

C17H20N2O3 — CID 141241668

IUPAC4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde
SMILESCOc1ccc(CCN(C)c2ccnc(C=O)c2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-19(15-6-8-18-14(11-15)12-20)9-7-13-4-5-16(21-2)17(10-13)22-3/h4-6,8,10-12H,7,9H2,1-3H3
InChIKeyWUJXIUOOEDHPSM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.59
Rot. Bonds7

About 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde

4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde (PubChem CID 141241668) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde
PubChem CID141241668
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde
SMILESCOc1ccc(CCN(C)c2ccnc(C=O)c2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-19(15-6-8-18-14(11-15)12-20)9-7-13-4-5-16(21-2)17(10-13)22-3/h4-6,8,10-12H,7,9H2,1-3H3
InChIKeyWUJXIUOOEDHPSM-UHFFFAOYSA-N
XLogP2.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine
CID 75966783
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine
CID 75431201
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 172866554
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylpropan-1-amine
CID 19926629
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine
CID 783806
3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline
CID 60588106
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propane-1-thiol
CID 115225219
2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine
CID 135049124
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 2244886
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
CID 75371373

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde (CID 141241668) is 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde is COc1ccc(CCN(C)c2ccnc(C=O)c2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde?
The InChIKey is WUJXIUOOEDHPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-19(15-6-8-18-14(11-15)12-20)9-7-13-4-5-16(21-2)17(10-13)22-3/h4-6,8,10-12H,7,9H2,1-3H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde?
4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde has a molecular weight of 300.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde is sourced from PubChem (CID 141241668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).