2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde

C16H17NO — CID 146227561

IUPAC2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde
SMILESCc1cccc(C)c1-c1ccc(N)c(CC=O)c1
InChIInChI=1S/C16H17NO/c1-11-4-3-5-12(2)16(11)14-6-7-15(17)13(10-14)8-9-18/h3-7,9-10H,8,17H2,1-2H3
InChIKeyJGFAHZFDLMXXNM-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.29
Rot. Bonds3

About 2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde

2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde (PubChem CID 146227561) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde
PubChem CID146227561
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde
SMILESCc1cccc(C)c1-c1ccc(N)c(CC=O)c1
InChIInChI=1S/C16H17NO/c1-11-4-3-5-12(2)16(11)14-6-7-15(17)13(10-14)8-9-18/h3-7,9-10H,8,17H2,1-2H3
InChIKeyJGFAHZFDLMXXNM-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.29
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-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde (CID 146227561) is 2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde is Cc1cccc(C)c1-c1ccc(N)c(CC=O)c1.
What is the InChIKey of 2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde?
The InChIKey is JGFAHZFDLMXXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-4-3-5-12(2)16(11)14-6-7-15(17)13(10-14)8-9-18/h3-7,9-10H,8,17H2,1-2H3.
What are the key properties of 2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde?
2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde has a molecular weight of 239.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(2,6-dimethylphenyl)phenyl]acetaldehyde is sourced from PubChem (CID 146227561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).