2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde

C12H17NO2 — CID 116939106

IUPAC2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde
SMILESCOc1cc(C)c(C(N)C=O)c(C)c1C
InChIInChI=1S/C12H17NO2/c1-7-5-11(15-4)8(2)9(3)12(7)10(13)6-14/h5-6,10H,13H2,1-4H3
InChIKeyVVCLDMXIUCWKQV-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.82
Rot. Bonds3

About 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde

2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde (PubChem CID 116939106) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde
PubChem CID116939106
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde
SMILESCOc1cc(C)c(C(N)C=O)c(C)c1C
InChIInChI=1S/C12H17NO2/c1-7-5-11(15-4)8(2)9(3)12(7)10(13)6-14/h5-6,10H,13H2,1-4H3
InChIKeyVVCLDMXIUCWKQV-UHFFFAOYSA-N
XLogP1.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetonitrile
CID 116851070
2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116939016
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 116939033
1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
CID 116830252
4-(1-bromoethyl)-1,2-dimethoxy-3,5-dimethylbenzene
CID 174571134
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
CID 83939390
1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948793
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
(4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine
CID 116935748

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde?
The IUPAC name of 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde (CID 116939106) is 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde.
What is the SMILES notation for 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde?
The canonical SMILES for 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde is COc1cc(C)c(C(N)C=O)c(C)c1C.
What is the InChIKey of 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde?
The InChIKey is VVCLDMXIUCWKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-5-11(15-4)8(2)9(3)12(7)10(13)6-14/h5-6,10H,13H2,1-4H3.
What are the key properties of 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde?
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde has a molecular weight of 207.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde is sourced from PubChem (CID 116939106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).