4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride

C13H18ClNO3 — CID 23117912

IUPAC4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
SMILESCl.O=Cc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C13H17NO3.ClH/c15-11-12-1-3-13(4-2-12)17-10-7-14-5-8-16-9-6-14;/h1-4,11H,5-10H2;1H
InChIKeyNJGDYAGNZBFFFO-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.63
Rot. Bonds5

About 4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride

4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride (PubChem CID 23117912) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
PubChem CID23117912
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
SMILESCl.O=Cc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C13H17NO3.ClH/c15-11-12-1-3-13(4-2-12)17-10-7-14-5-8-16-9-6-14;/h1-4,11H,5-10H2;1H
InChIKeyNJGDYAGNZBFFFO-UHFFFAOYSA-N
XLogP1.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride 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-(2-piperazin-1-ylethoxy)benzaldehyde
CID 23009909
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
(2E,5E)-2,5-bis[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]cyclopentan-1-one
CID 71518525
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 89092566
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride?
The IUPAC name of 4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride (CID 23117912) is 4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride.
What is the SMILES notation for 4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride?
The canonical SMILES for 4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride is Cl.O=Cc1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride?
The InChIKey is NJGDYAGNZBFFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.ClH/c15-11-12-1-3-13(4-2-12)17-10-7-14-5-8-16-9-6-14;/h1-4,11H,5-10H2;1H.
What are the key properties of 4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride?
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride has a molecular weight of 271.74 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride is sourced from PubChem (CID 23117912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).