6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde

C11H14N2O — CID 151812227

IUPAC6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde
SMILESC=Cc1ccc(N)c(C=O)c1N(C)C
InChIInChI=1S/C11H14N2O/c1-4-8-5-6-10(12)9(7-14)11(8)13(2)3/h4-7H,1,12H2,2-3H3
InChIKeyIGOZCUXMKCJLLA-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.79
Rot. Bonds3

About 6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde

6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde (PubChem CID 151812227) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde.

Molecular Properties

Compound Name6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde
PubChem CID151812227
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde
SMILESC=Cc1ccc(N)c(C=O)c1N(C)C
InChIInChI=1S/C11H14N2O/c1-4-8-5-6-10(12)9(7-14)11(8)13(2)3/h4-7H,1,12H2,2-3H3
InChIKeyIGOZCUXMKCJLLA-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde?
The IUPAC name of 6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde (CID 151812227) is 6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde.
What is the SMILES notation for 6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde?
The canonical SMILES for 6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde is C=Cc1ccc(N)c(C=O)c1N(C)C.
What is the InChIKey of 6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde?
The InChIKey is IGOZCUXMKCJLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-8-5-6-10(12)9(7-14)11(8)13(2)3/h4-7H,1,12H2,2-3H3.
What are the key properties of 6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde?
6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde has a molecular weight of 190.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde is sourced from PubChem (CID 151812227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).