8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde

C14H15NO3 — CID 166107364

IUPAC8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde
SMILESCOc1ccc(C=O)c2c(OCCN)cccc12
InChIInChI=1S/C14H15NO3/c1-17-12-6-5-10(9-16)14-11(12)3-2-4-13(14)18-8-7-15/h2-6,9H,7-8,15H2,1H3
InChIKeyWYHHEKGFYDBSAI-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.00
Rot. Bonds5

About 8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde

8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde (PubChem CID 166107364) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde
PubChem CID166107364
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde
SMILESCOc1ccc(C=O)c2c(OCCN)cccc12
InChIInChI=1S/C14H15NO3/c1-17-12-6-5-10(9-16)14-11(12)3-2-4-13(14)18-8-7-15/h2-6,9H,7-8,15H2,1H3
InChIKeyWYHHEKGFYDBSAI-UHFFFAOYSA-N
XLogP2.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 166107369
4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11339020
(8-formyl-5-methoxynaphthalen-1-yl) benzoate
CID 12653578
4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11736457
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60893026
2-methoxy-3-pentoxybenzaldehyde
CID 82161467

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde?
The IUPAC name of 8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde (CID 166107364) is 8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde is COc1ccc(C=O)c2c(OCCN)cccc12.
What is the InChIKey of 8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde?
The InChIKey is WYHHEKGFYDBSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-12-6-5-10(9-16)14-11(12)3-2-4-13(14)18-8-7-15/h2-6,9H,7-8,15H2,1H3.
What are the key properties of 8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde?
8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde has a molecular weight of 245.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 166107364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).