2-amino-4,6-dimethylbenzaldehyde

C9H11NO — CID 114553787

IUPAC2-amino-4,6-dimethylbenzaldehyde
SMILESCc1cc(C)c(C=O)c(N)c1
InChIInChI=1S/C9H11NO/c1-6-3-7(2)8(5-11)9(10)4-6/h3-5H,10H2,1-2H3
InChIKeyHHEJOVBESNBJKW-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.70
Rot. Bonds1

About 2-amino-4,6-dimethylbenzaldehyde

2-amino-4,6-dimethylbenzaldehyde (PubChem CID 114553787) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-amino-4,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-amino-4,6-dimethylbenzaldehyde
PubChem CID114553787
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-amino-4,6-dimethylbenzaldehyde
SMILESCc1cc(C)c(C=O)c(N)c1
InChIInChI=1S/C9H11NO/c1-6-3-7(2)8(5-11)9(10)4-6/h3-5H,10H2,1-2H3
InChIKeyHHEJOVBESNBJKW-UHFFFAOYSA-N
XLogP1.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.70
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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Related Compounds

2-amino-6-bromo-4-methylbenzaldehyde
CID 131099846
3,5-dimethylphthalaldehyde
CID 23156924
2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde
CID 14915375
2,4,6-trihydroxybenzaldehyde;2,4,6-trimethylbenzaldehyde
CID 159352487
2-amino-6-methylbenzaldehyde
CID 23046538
2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde
CID 131744702
2-(3,4-dichlorophenyl)-4,6-dimethylbenzaldehyde
CID 13186066
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde
CID 14915371
3,5-dimethyl-2-(3-methylsulfonylpropoxy)aniline
CID 63191136
cobalt;2,4,6-trimethylaniline
CID 159454360
2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde
CID 126763706

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dimethylbenzaldehyde?
The IUPAC name of 2-amino-4,6-dimethylbenzaldehyde (CID 114553787) is 2-amino-4,6-dimethylbenzaldehyde.
What is the SMILES notation for 2-amino-4,6-dimethylbenzaldehyde?
The canonical SMILES for 2-amino-4,6-dimethylbenzaldehyde is Cc1cc(C)c(C=O)c(N)c1.
What is the InChIKey of 2-amino-4,6-dimethylbenzaldehyde?
The InChIKey is HHEJOVBESNBJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-3-7(2)8(5-11)9(10)4-6/h3-5H,10H2,1-2H3.
What are the key properties of 2-amino-4,6-dimethylbenzaldehyde?
2-amino-4,6-dimethylbenzaldehyde has a molecular weight of 149.19 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dimethylbenzaldehyde is sourced from PubChem (CID 114553787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).