4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde

C13H19NO3 — CID 141409566

IUPAC4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde
SMILESCOc1cc(CCN(C)C)c(OC)cc1C=O
InChIInChI=1S/C13H19NO3/c1-14(2)6-5-10-7-13(17-4)11(9-15)8-12(10)16-3/h7-9H,5-6H2,1-4H3
InChIKeyCGNKBZWHTBAYDR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.62
Rot. Bonds6

About 4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde

4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde (PubChem CID 141409566) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde
PubChem CID141409566
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde
SMILESCOc1cc(CCN(C)C)c(OC)cc1C=O
InChIInChI=1S/C13H19NO3/c1-14(2)6-5-10-7-13(17-4)11(9-15)8-12(10)16-3/h7-9H,5-6H2,1-4H3
InChIKeyCGNKBZWHTBAYDR-UHFFFAOYSA-N
XLogP1.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(fluoromethyl)-2,5-dimethoxybenzaldehyde
CID 84668094
4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde
CID 14545007
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
4,5-dimethoxy-2-(3-oxopropyl)benzaldehyde
CID 117317867
5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde
CID 12646496
2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine
CID 927476
4-[bis(2-chloroethyl)amino]-2,5-dimethoxybenzaldehyde
CID 131855113
4,5-dimethoxy-2-(2-oxoethyl)benzaldehyde
CID 134869051
2,5-bis[(dimethylamino)methoxy]terephthalaldehyde
CID 130416987
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
2,5-dimethoxy-4-(2-methoxyethylsulfanyl)benzaldehyde
CID 44719533
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde (CID 141409566) is 4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde is COc1cc(CCN(C)C)c(OC)cc1C=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde?
The InChIKey is CGNKBZWHTBAYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14(2)6-5-10-7-13(17-4)11(9-15)8-12(10)16-3/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde?
4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde has a molecular weight of 237.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde is sourced from PubChem (CID 141409566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).