4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde

C13H19NO4 — CID 43516597

IUPAC4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1OCCN(C)C
InChIInChI=1S/C13H19NO4/c1-14(2)5-6-18-13-11(16-3)7-10(9-15)8-12(13)17-4/h7-9H,5-6H2,1-4H3
InChIKeyLIDPJEIGSPOPNP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.46
Rot. Bonds7

About 4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde

4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde (PubChem CID 43516597) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde
PubChem CID43516597
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1OCCN(C)C
InChIInChI=1S/C13H19NO4/c1-14(2)5-6-18-13-11(16-3)7-10(9-15)8-12(13)17-4/h7-9H,5-6H2,1-4H3
InChIKeyLIDPJEIGSPOPNP-UHFFFAOYSA-N
XLogP1.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.46
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

3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930
CID 87769001
CID 87769001
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
3,5-dimethoxy-4-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
CID 116616040
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde
CID 22999184
N-[[3-chloro-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 22686186
N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide
CID 62627393
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine
CID 60907775
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde (CID 43516597) is 4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde is COc1cc(C=O)cc(OC)c1OCCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde?
The InChIKey is LIDPJEIGSPOPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14(2)5-6-18-13-11(16-3)7-10(9-15)8-12(13)17-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde?
4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde has a molecular weight of 253.30 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde is sourced from PubChem (CID 43516597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).