4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline

C12H19NO2 — CID 65365399

IUPAC4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline
SMILESCOCOc1cc(C)c(N)cc1C(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)10-6-11(13)9(3)5-12(10)15-7-14-4/h5-6,8H,7,13H2,1-4H3
InChIKeyMUTOKGFAVAPFSD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.68
Rot. Bonds4

About 4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline

4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline (PubChem CID 65365399) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline.

Molecular Properties

Compound Name4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline
PubChem CID65365399
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline
SMILESCOCOc1cc(C)c(N)cc1C(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)10-6-11(13)9(3)5-12(10)15-7-14-4/h5-6,8H,7,13H2,1-4H3
InChIKeyMUTOKGFAVAPFSD-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline 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

4-(methoxymethoxy)-2,5-dimethylaniline
CID 65365298
4-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylaniline
CID 65216740
4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline
CID 114524620
4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline
CID 103032541
5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 65216687
2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline
CID 106449346
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-ethyl-N-methylacetamide
CID 65216731
2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
CID 65216960
4-(2-tert-butylsulfonylethoxy)-2-methyl-5-propan-2-ylaniline
CID 106721708
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline
CID 65217353
2-[(4-amino-5-methyl-2-propan-2-ylphenoxy)methyl]benzonitrile
CID 65217468
4-(5-chloropyrimidin-4-yl)oxy-2-methyl-5-propan-2-ylaniline
CID 105369793

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline?
The IUPAC name of 4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline (CID 65365399) is 4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline.
What is the SMILES notation for 4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline?
The canonical SMILES for 4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline is COCOc1cc(C)c(N)cc1C(C)C.
What is the InChIKey of 4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline?
The InChIKey is MUTOKGFAVAPFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)10-6-11(13)9(3)5-12(10)15-7-14-4/h5-6,8H,7,13H2,1-4H3.
What are the key properties of 4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline?
4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline has a molecular weight of 209.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline is sourced from PubChem (CID 65365399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).