4-(ethylaminomethyl)-2-methylbenzaldehyde

C11H15NO — CID 166723974

IUPAC4-(ethylaminomethyl)-2-methylbenzaldehyde
SMILESCCNCc1ccc(C=O)c(C)c1
InChIInChI=1S/C11H15NO/c1-3-12-7-10-4-5-11(8-13)9(2)6-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeyCHHALJBWYLFHEZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.92
Rot. Bonds4

About 4-(ethylaminomethyl)-2-methylbenzaldehyde

4-(ethylaminomethyl)-2-methylbenzaldehyde (PubChem CID 166723974) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-methylbenzaldehyde
PubChem CID166723974
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-(ethylaminomethyl)-2-methylbenzaldehyde
SMILESCCNCc1ccc(C=O)c(C)c1
InChIInChI=1S/C11H15NO/c1-3-12-7-10-4-5-11(8-13)9(2)6-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeyCHHALJBWYLFHEZ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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

4-(ethylaminomethyl)benzaldehyde
CID 87956656
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
N-(2H-benzotriazol-5-ylmethyl)ethanamine
CID 63322120
3-(ethylaminomethyl)benzaldehyde
CID 90105279
N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 66481816
4-(4-ethylphenoxy)-2-methylbenzaldehyde
CID 63534458
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
CID 43221669
N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine
CID 66479837
N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
CID 63552188

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-methylbenzaldehyde?
The IUPAC name of 4-(ethylaminomethyl)-2-methylbenzaldehyde (CID 166723974) is 4-(ethylaminomethyl)-2-methylbenzaldehyde.
What is the SMILES notation for 4-(ethylaminomethyl)-2-methylbenzaldehyde?
The canonical SMILES for 4-(ethylaminomethyl)-2-methylbenzaldehyde is CCNCc1ccc(C=O)c(C)c1.
What is the InChIKey of 4-(ethylaminomethyl)-2-methylbenzaldehyde?
The InChIKey is CHHALJBWYLFHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-12-7-10-4-5-11(8-13)9(2)6-10/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-2-methylbenzaldehyde?
4-(ethylaminomethyl)-2-methylbenzaldehyde has a molecular weight of 177.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-methylbenzaldehyde is sourced from PubChem (CID 166723974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).