4-(ethylaminomethyl)benzaldehyde

C10H13NO — CID 87956656

IUPAC4-(ethylaminomethyl)benzaldehyde
SMILESCCNCc1ccc(C=O)cc1
InChIInChI=1S/C10H13NO/c1-2-11-7-9-3-5-10(8-12)6-4-9/h3-6,8,11H,2,7H2,1H3
InChIKeyAZHOBILXQCJDLG-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.61
Rot. Bonds4

About 4-(ethylaminomethyl)benzaldehyde

4-(ethylaminomethyl)benzaldehyde (PubChem CID 87956656) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(ethylaminomethyl)benzaldehyde.

Molecular Properties

Compound Name4-(ethylaminomethyl)benzaldehyde
PubChem CID87956656
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-(ethylaminomethyl)benzaldehyde
SMILESCCNCc1ccc(C=O)cc1
InChIInChI=1S/C10H13NO/c1-2-11-7-9-3-5-10(8-12)6-4-9/h3-6,8,11H,2,7H2,1H3
InChIKeyAZHOBILXQCJDLG-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.61
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

benzaldehyde;N-benzylethanamine
CID 22227487
3-(ethylaminomethyl)benzaldehyde
CID 90105279
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[[4-(chloromethyl)phenyl]methyl]ethanamine
CID 107232930
N-[(4-formylphenyl)methyl]nitrous amide
CID 172967513
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
2-cyano-N-[(4-formylphenyl)methyl]acetamide
CID 88911411
3-[(4-formylphenyl)methylamino]propanenitrile
CID 86109958
4-[(4-methylphenyl)methylamino]benzaldehyde
CID 89270360
4-(ethylaminomethyl)-2-methylbenzaldehyde
CID 166723974
N-benzylethanamine;tris(yttrium)
CID 158198357

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)benzaldehyde?
The IUPAC name of 4-(ethylaminomethyl)benzaldehyde (CID 87956656) is 4-(ethylaminomethyl)benzaldehyde.
What is the SMILES notation for 4-(ethylaminomethyl)benzaldehyde?
The canonical SMILES for 4-(ethylaminomethyl)benzaldehyde is CCNCc1ccc(C=O)cc1.
What is the InChIKey of 4-(ethylaminomethyl)benzaldehyde?
The InChIKey is AZHOBILXQCJDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-11-7-9-3-5-10(8-12)6-4-9/h3-6,8,11H,2,7H2,1H3.
What are the key properties of 4-(ethylaminomethyl)benzaldehyde?
4-(ethylaminomethyl)benzaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)benzaldehyde is sourced from PubChem (CID 87956656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).