N-(methoxymethyl)-2,3,4-trimethylaniline

C11H17NO — CID 115258290

IUPACN-(methoxymethyl)-2,3,4-trimethylaniline
SMILESCOCNc1ccc(C)c(C)c1C
InChIInChI=1S/C11H17NO/c1-8-5-6-11(12-7-13-4)10(3)9(8)2/h5-6,12H,7H2,1-4H3
InChIKeyVJZRTFHWJGWYEA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.63
Rot. Bonds3

About N-(methoxymethyl)-2,3,4-trimethylaniline

N-(methoxymethyl)-2,3,4-trimethylaniline (PubChem CID 115258290) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(methoxymethyl)-2,3,4-trimethylaniline.

Molecular Properties

Compound NameN-(methoxymethyl)-2,3,4-trimethylaniline
PubChem CID115258290
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(methoxymethyl)-2,3,4-trimethylaniline
SMILESCOCNc1ccc(C)c(C)c1C
InChIInChI=1S/C11H17NO/c1-8-5-6-11(12-7-13-4)10(3)9(8)2/h5-6,12H,7H2,1-4H3
InChIKeyVJZRTFHWJGWYEA-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(methoxymethyl)-2,3,4-trimethylaniline 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

N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine
CID 115226596
4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
CID 115258230
methyl 2,2-dimethyl-3-(2,3,4-trimethylanilino)propanoate
CID 115233608
2-(2,3,4-trimethylanilino)acetaldehyde
CID 115222704
1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 115196344
2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 115222066
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
methyl 4-hydroxy-5-(2,3,4-trimethylanilino)pentanoate
CID 115123520
1-amino-3-(2,3,4-trimethylanilino)propan-2-ol
CID 115121186
[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243291
2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline
CID 115258305
1-N,4-N-dibutyl-2,3-dimethylbenzene-1,4-diamine
CID 19915579

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2,3,4-trimethylaniline?
The IUPAC name of N-(methoxymethyl)-2,3,4-trimethylaniline (CID 115258290) is N-(methoxymethyl)-2,3,4-trimethylaniline.
What is the SMILES notation for N-(methoxymethyl)-2,3,4-trimethylaniline?
The canonical SMILES for N-(methoxymethyl)-2,3,4-trimethylaniline is COCNc1ccc(C)c(C)c1C.
What is the InChIKey of N-(methoxymethyl)-2,3,4-trimethylaniline?
The InChIKey is VJZRTFHWJGWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-6-11(12-7-13-4)10(3)9(8)2/h5-6,12H,7H2,1-4H3.
What are the key properties of N-(methoxymethyl)-2,3,4-trimethylaniline?
N-(methoxymethyl)-2,3,4-trimethylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2,3,4-trimethylaniline is sourced from PubChem (CID 115258290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).