2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde

C11H15NO3 — CID 142942704

IUPAC2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde
SMILESCOc1ccc(C)cc1N(CO)CC=O
InChIInChI=1S/C11H15NO3/c1-9-3-4-11(15-2)10(7-9)12(8-14)5-6-13/h3-4,6-7,14H,5,8H2,1-2H3
InChIKeyPWSPLEFWJZFUGA-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.96
Rot. Bonds5

About 2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde

2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde (PubChem CID 142942704) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde.

Molecular Properties

Compound Name2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde
PubChem CID142942704
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde
SMILESCOc1ccc(C)cc1N(CO)CC=O
InChIInChI=1S/C11H15NO3/c1-9-3-4-11(15-2)10(7-9)12(8-14)5-6-13/h3-4,6-7,14H,5,8H2,1-2H3
InChIKeyPWSPLEFWJZFUGA-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899
2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate
CID 57325233
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
3-[2-methoxy-5-methyl-N-(2-methylprop-2-enyl)anilino]-2-methylpropanoic acid
CID 82319692
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221
3-[N-(2-cyanoethyl)-2-methoxy-5-methylanilino]propanenitrile
CID 21455630
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
CID 115250618
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol
CID 115137383
2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline
CID 161365967

Frequently Asked Questions

What is the IUPAC name of 2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde?
The IUPAC name of 2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde (CID 142942704) is 2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde.
What is the SMILES notation for 2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde?
The canonical SMILES for 2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde is COc1ccc(C)cc1N(CO)CC=O.
What is the InChIKey of 2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde?
The InChIKey is PWSPLEFWJZFUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-9-3-4-11(15-2)10(7-9)12(8-14)5-6-13/h3-4,6-7,14H,5,8H2,1-2H3.
What are the key properties of 2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde?
2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde has a molecular weight of 209.24 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde is sourced from PubChem (CID 142942704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).