5-ethyl-2-(methylaminomethyl)benzaldehyde

C11H15NO — CID 143512508

IUPAC5-ethyl-2-(methylaminomethyl)benzaldehyde
SMILESCCc1ccc(CNC)c(C=O)c1
InChIInChI=1S/C11H15NO/c1-3-9-4-5-10(7-12-2)11(6-9)8-13/h4-6,8,12H,3,7H2,1-2H3
InChIKeyNKCYAGXEGZQWFU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.78
Rot. Bonds4

About 5-ethyl-2-(methylaminomethyl)benzaldehyde

5-ethyl-2-(methylaminomethyl)benzaldehyde (PubChem CID 143512508) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-ethyl-2-(methylaminomethyl)benzaldehyde.

Molecular Properties

Compound Name5-ethyl-2-(methylaminomethyl)benzaldehyde
PubChem CID143512508
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-ethyl-2-(methylaminomethyl)benzaldehyde
SMILESCCc1ccc(CNC)c(C=O)c1
InChIInChI=1S/C11H15NO/c1-3-9-4-5-10(7-12-2)11(6-9)8-13/h4-6,8,12H,3,7H2,1-2H3
InChIKeyNKCYAGXEGZQWFU-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(methylaminomethyl)benzaldehyde
CID 142196530
2-ethyl-5-(hydroxymethyl)benzaldehyde
CID 131311847
2-chloro-4-ethylbenzaldehyde
CID 14687915
1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482275
5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde
CID 143512506
ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione
CID 143512769
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
4-bromo-2-(methylaminomethyl)benzaldehyde
CID 178141211
2-[(2,5-diethylphenyl)methylidene]propanedinitrile
CID 50887123
methyl 4-ethyl-3-formylbenzoate
CID 91332052
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 79739852
5-ethyl-2-(2-hydroxyethoxy)benzaldehyde
CID 22039827

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(methylaminomethyl)benzaldehyde?
The IUPAC name of 5-ethyl-2-(methylaminomethyl)benzaldehyde (CID 143512508) is 5-ethyl-2-(methylaminomethyl)benzaldehyde.
What is the SMILES notation for 5-ethyl-2-(methylaminomethyl)benzaldehyde?
The canonical SMILES for 5-ethyl-2-(methylaminomethyl)benzaldehyde is CCc1ccc(CNC)c(C=O)c1.
What is the InChIKey of 5-ethyl-2-(methylaminomethyl)benzaldehyde?
The InChIKey is NKCYAGXEGZQWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-9-4-5-10(7-12-2)11(6-9)8-13/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of 5-ethyl-2-(methylaminomethyl)benzaldehyde?
5-ethyl-2-(methylaminomethyl)benzaldehyde has a molecular weight of 177.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(methylaminomethyl)benzaldehyde is sourced from PubChem (CID 143512508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).