2-(3-amino-2-methylphenyl)acetaldehyde

C9H11NO — CID 174431818

IUPAC2-(3-amino-2-methylphenyl)acetaldehyde
SMILESCc1c(N)cccc1CC=O
InChIInChI=1S/C9H11NO/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4,6H,5,10H2,1H3
InChIKeyZPSIPCGJVZOHJI-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.32
Rot. Bonds2

About 2-(3-amino-2-methylphenyl)acetaldehyde

2-(3-amino-2-methylphenyl)acetaldehyde (PubChem CID 174431818) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)acetaldehyde
PubChem CID174431818
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-(3-amino-2-methylphenyl)acetaldehyde
SMILESCc1c(N)cccc1CC=O
InChIInChI=1S/C9H11NO/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4,6H,5,10H2,1H3
InChIKeyZPSIPCGJVZOHJI-UHFFFAOYSA-N
XLogP1.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.32
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-(3-amino-2-methylphenyl)acetaldehyde?
The IUPAC name of 2-(3-amino-2-methylphenyl)acetaldehyde (CID 174431818) is 2-(3-amino-2-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)acetaldehyde?
The canonical SMILES for 2-(3-amino-2-methylphenyl)acetaldehyde is Cc1c(N)cccc1CC=O.
What is the InChIKey of 2-(3-amino-2-methylphenyl)acetaldehyde?
The InChIKey is ZPSIPCGJVZOHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4,6H,5,10H2,1H3.
What are the key properties of 2-(3-amino-2-methylphenyl)acetaldehyde?
2-(3-amino-2-methylphenyl)acetaldehyde has a molecular weight of 149.19 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)acetaldehyde is sourced from PubChem (CID 174431818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).