2,4-dimethoxy-3-methyl-6-propan-2-ylaniline

C12H19NO2 — CID 102416676

IUPAC2,4-dimethoxy-3-methyl-6-propan-2-ylaniline
SMILESCOc1cc(C(C)C)c(N)c(OC)c1C
InChIInChI=1S/C12H19NO2/c1-7(2)9-6-10(14-4)8(3)12(15-5)11(9)13/h6-7H,13H2,1-5H3
InChIKeyXWJIYFHSPRYGML-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.72
Rot. Bonds3

About 2,4-dimethoxy-3-methyl-6-propan-2-ylaniline

2,4-dimethoxy-3-methyl-6-propan-2-ylaniline (PubChem CID 102416676) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,4-dimethoxy-3-methyl-6-propan-2-ylaniline.

Molecular Properties

Compound Name2,4-dimethoxy-3-methyl-6-propan-2-ylaniline
PubChem CID102416676
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2,4-dimethoxy-3-methyl-6-propan-2-ylaniline
SMILESCOc1cc(C(C)C)c(N)c(OC)c1C
InChIInChI=1S/C12H19NO2/c1-7(2)9-6-10(14-4)8(3)12(15-5)11(9)13/h6-7H,13H2,1-5H3
InChIKeyXWJIYFHSPRYGML-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
CID 167036227
6-bromo-4-methoxy-2,3-dimethylaniline
CID 151145179
4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
CID 146675441
3-amino-4-methoxy-2-methyl-5-propan-2-ylbenzoic acid
CID 105480459
4,5-dimethoxy-3-methylbenzene-1,2-diamine
CID 13006980
2,3,5,6-tetramethoxyaniline
CID 19093015
5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene
CID 11746525
2-bromo-5-methoxy-3,6-dimethylaniline
CID 84736110
(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol
CID 116954760
2,5-dimethoxy-3-propan-2-ylaniline
CID 84666265
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
CID 117343739

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-methyl-6-propan-2-ylaniline?
The IUPAC name of 2,4-dimethoxy-3-methyl-6-propan-2-ylaniline (CID 102416676) is 2,4-dimethoxy-3-methyl-6-propan-2-ylaniline.
What is the SMILES notation for 2,4-dimethoxy-3-methyl-6-propan-2-ylaniline?
The canonical SMILES for 2,4-dimethoxy-3-methyl-6-propan-2-ylaniline is COc1cc(C(C)C)c(N)c(OC)c1C.
What is the InChIKey of 2,4-dimethoxy-3-methyl-6-propan-2-ylaniline?
The InChIKey is XWJIYFHSPRYGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7(2)9-6-10(14-4)8(3)12(15-5)11(9)13/h6-7H,13H2,1-5H3.
What are the key properties of 2,4-dimethoxy-3-methyl-6-propan-2-ylaniline?
2,4-dimethoxy-3-methyl-6-propan-2-ylaniline has a molecular weight of 209.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-methyl-6-propan-2-ylaniline is sourced from PubChem (CID 102416676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).