2-amino-3,4-diethylbenzaldehyde

C11H15NO — CID 54482978

IUPAC2-amino-3,4-diethylbenzaldehyde
SMILESCCc1ccc(C=O)c(N)c1CC
InChIInChI=1S/C11H15NO/c1-3-8-5-6-9(7-13)11(12)10(8)4-2/h5-7H,3-4,12H2,1-2H3
InChIKeyXQHYECQMLZJNSI-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.21
Rot. Bonds3

About 2-amino-3,4-diethylbenzaldehyde

2-amino-3,4-diethylbenzaldehyde (PubChem CID 54482978) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-amino-3,4-diethylbenzaldehyde.

Molecular Properties

Compound Name2-amino-3,4-diethylbenzaldehyde
PubChem CID54482978
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-amino-3,4-diethylbenzaldehyde
SMILESCCc1ccc(C=O)c(N)c1CC
InChIInChI=1S/C11H15NO/c1-3-8-5-6-9(7-13)11(12)10(8)4-2/h5-7H,3-4,12H2,1-2H3
InChIKeyXQHYECQMLZJNSI-UHFFFAOYSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4-diethylbenzaldehyde?
The IUPAC name of 2-amino-3,4-diethylbenzaldehyde (CID 54482978) is 2-amino-3,4-diethylbenzaldehyde.
What is the SMILES notation for 2-amino-3,4-diethylbenzaldehyde?
The canonical SMILES for 2-amino-3,4-diethylbenzaldehyde is CCc1ccc(C=O)c(N)c1CC.
What is the InChIKey of 2-amino-3,4-diethylbenzaldehyde?
The InChIKey is XQHYECQMLZJNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-8-5-6-9(7-13)11(12)10(8)4-2/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 2-amino-3,4-diethylbenzaldehyde?
2-amino-3,4-diethylbenzaldehyde has a molecular weight of 177.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4-diethylbenzaldehyde is sourced from PubChem (CID 54482978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).