5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde

C13H19NO2 — CID 105477801

IUPAC5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde
SMILESCCN(CC)C(C)c1ccc(O)c(C=O)c1
InChIInChI=1S/C13H19NO2/c1-4-14(5-2)10(3)11-6-7-13(16)12(8-11)9-15/h6-10,16H,4-5H2,1-3H3
InChIKeyCTHMSOCNKMLXGW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.61
Rot. Bonds5

About 5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde

5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde (PubChem CID 105477801) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde
PubChem CID105477801
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde
SMILESCCN(CC)C(C)c1ccc(O)c(C=O)c1
InChIInChI=1S/C13H19NO2/c1-4-14(5-2)10(3)11-6-7-13(16)12(8-11)9-15/h6-10,16H,4-5H2,1-3H3
InChIKeyCTHMSOCNKMLXGW-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde 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

5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde
CID 105496652
5-(1-aminoethyl)-2-hydroxybenzaldehyde
CID 105432657
N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde
CID 176923353
2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
CID 20598480
5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzaldehyde
CID 57367253
4-butan-2-yl-2-hydroxybenzaldehyde
CID 10236044
2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde
CID 88594631
4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol
CID 82981884
4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085
2-ethyl-5-propan-2-ylbenzaldehyde
CID 105436611
N,N-diethyl-1-phenylethanamine;nitroxyl
CID 144554786
triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium
CID 15821532

Frequently Asked Questions

What is the IUPAC name of 5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde?
The IUPAC name of 5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde (CID 105477801) is 5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde?
The canonical SMILES for 5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde is CCN(CC)C(C)c1ccc(O)c(C=O)c1.
What is the InChIKey of 5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde?
The InChIKey is CTHMSOCNKMLXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-14(5-2)10(3)11-6-7-13(16)12(8-11)9-15/h6-10,16H,4-5H2,1-3H3.
What are the key properties of 5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde?
5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde has a molecular weight of 221.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde is sourced from PubChem (CID 105477801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).