4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline

C12H19NO2 — CID 115258230

IUPAC4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
SMILESCOCNc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C12H19NO2/c1-8-6-11(13-7-14-4)9(2)10(3)12(8)15-5/h6,13H,7H2,1-5H3
InChIKeyRBMDIJDUSPEQIY-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.64
Rot. Bonds4

About 4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline

4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline (PubChem CID 115258230) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline.

Molecular Properties

Compound Name4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
PubChem CID115258230
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
SMILESCOCNc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C12H19NO2/c1-8-6-11(13-7-14-4)9(2)10(3)12(8)15-5/h6,13H,7H2,1-5H3
InChIKeyRBMDIJDUSPEQIY-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline
CID 115258305
1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
CID 115135651
methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
CID 115232672
3-(4-methoxy-2,3,5-trimethylanilino)propane-1-thiol
CID 115224602
N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine
CID 115206741
3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol
CID 115133837
N-(methoxymethyl)-2,3,4-trimethylaniline
CID 115258290
2-amino-3-(4-methoxy-2,3,5-trimethylanilino)propanoic acid
CID 115240470
3-amino-4-(4-methoxy-2,3,5-trimethylanilino)butanoic acid
CID 115241472
2-(4-methoxy-2,3,5-trimethylanilino)-2-methylpropanoic acid
CID 115127764
N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide
CID 96676162
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline?
The IUPAC name of 4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline (CID 115258230) is 4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline.
What is the SMILES notation for 4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline?
The canonical SMILES for 4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline is COCNc1cc(C)c(OC)c(C)c1C.
What is the InChIKey of 4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline?
The InChIKey is RBMDIJDUSPEQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-6-11(13-7-14-4)9(2)10(3)12(8)15-5/h6,13H,7H2,1-5H3.
What are the key properties of 4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline?
4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline has a molecular weight of 209.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline is sourced from PubChem (CID 115258230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).