2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde

C11H15NO — CID 116939016

IUPAC2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
SMILESCc1cc(C)c(C(N)C=O)c(C)c1
InChIInChI=1S/C11H15NO/c1-7-4-8(2)11(9(3)5-7)10(12)6-13/h4-6,10H,12H2,1-3H3
InChIKeyIXYXPRMEVZROTQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.81
Rot. Bonds2

About 2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde

2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde (PubChem CID 116939016) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
PubChem CID116939016
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
SMILESCc1cc(C)c(C(N)C=O)c(C)c1
InChIInChI=1S/C11H15NO/c1-7-4-8(2)11(9(3)5-7)10(12)6-13/h4-6,10H,12H2,1-3H3
InChIKeyIXYXPRMEVZROTQ-UHFFFAOYSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598
(2S)-2-amino-3-(2,4,6-trimethylphenyl)propanal
CID 54309982
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde
CID 116939106
2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116908621
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745
2-amino-2-(2,5-dimethylphenyl)acetaldehyde
CID 116938991
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide
CID 15469540
N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 66808934
2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine
CID 79298168
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde?
The IUPAC name of 2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde (CID 116939016) is 2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde.
What is the SMILES notation for 2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde?
The canonical SMILES for 2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde is Cc1cc(C)c(C(N)C=O)c(C)c1.
What is the InChIKey of 2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde?
The InChIKey is IXYXPRMEVZROTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-4-8(2)11(9(3)5-7)10(12)6-13/h4-6,10H,12H2,1-3H3.
What are the key properties of 2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde?
2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde has a molecular weight of 177.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde is sourced from PubChem (CID 116939016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).