triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium

C15H24NO2+ — CID 122631501

IUPACtriethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium
SMILESCC[N+](CC)(CC)Cc1cc(C)c(O)c(C=O)c1
InChIInChI=1S/C15H23NO2/c1-5-16(6-2,7-3)10-13-8-12(4)15(18)14(9-13)11-17/h8-9,11H,5-7,10H2,1-4H3/p+1
InChIKeyWJCKTYYJNUWCHJ-UHFFFAOYSA-O
MW250.36 g/mol
LogP2.89
Rot. Bonds6

About triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium

triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium (PubChem CID 122631501) has the molecular formula C15H24NO2+ and a molecular weight of 250.36 g/mol. Its IUPAC name is triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium.

Molecular Properties

Compound Nametriethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium
PubChem CID122631501
Molecular FormulaC15H24NO2+
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Nametriethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium
SMILESCC[N+](CC)(CC)Cc1cc(C)c(O)c(C=O)c1
InChIInChI=1S/C15H23NO2/c1-5-16(6-2,7-3)10-13-8-12(4)15(18)14(9-13)11-17/h8-9,11H,5-7,10H2,1-4H3/p+1
InChIKeyWJCKTYYJNUWCHJ-UHFFFAOYSA-O
XLogP2.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium 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

triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium
CID 15821532
2-hydroxy-3,5-dimethylbenzaldehyde
CID 4770245
2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde
CID 122631498
5-bromo-2-hydroxy-3-methylbenzaldehyde
CID 2757016
2-hydroxy-3-methyl-5-propan-2-ylbenzaldehyde
CID 71330905
5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde
CID 159491845
5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde
CID 129178282
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
2-hydroxy-3-methoxy-5-propylbenzaldehyde
CID 14315769
4-(ethylaminomethyl)-2-methylbenzaldehyde
CID 166723974
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
4-ethyl-2,6-dimethylphenol;methane
CID 159618487

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium?
The IUPAC name of triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium (CID 122631501) is triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium.
What is the SMILES notation for triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium?
The canonical SMILES for triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium is CC[N+](CC)(CC)Cc1cc(C)c(O)c(C=O)c1.
What is the InChIKey of triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium?
The InChIKey is WJCKTYYJNUWCHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23NO2/c1-5-16(6-2,7-3)10-13-8-12(4)15(18)14(9-13)11-17/h8-9,11H,5-7,10H2,1-4H3/p+1.
What are the key properties of triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium?
triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium has a molecular weight of 250.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium is sourced from PubChem (CID 122631501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).