2-tert-butyl-6-methoxy-4-methylaniline

C12H19NO — CID 175292269

IUPAC2-tert-butyl-6-methoxy-4-methylaniline
SMILESCOc1cc(C)cc(C(C)(C)C)c1N
InChIInChI=1S/C12H19NO/c1-8-6-9(12(2,3)4)11(13)10(7-8)14-5/h6-7H,13H2,1-5H3
InChIKeyRWNVYTBIHUDIKH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.88
Rot. Bonds1

About 2-tert-butyl-6-methoxy-4-methylaniline

2-tert-butyl-6-methoxy-4-methylaniline (PubChem CID 175292269) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-tert-butyl-6-methoxy-4-methylaniline.

Molecular Properties

Compound Name2-tert-butyl-6-methoxy-4-methylaniline
PubChem CID175292269
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-tert-butyl-6-methoxy-4-methylaniline
SMILESCOc1cc(C)cc(C(C)(C)C)c1N
InChIInChI=1S/C12H19NO/c1-8-6-9(12(2,3)4)11(13)10(7-8)14-5/h6-7H,13H2,1-5H3
InChIKeyRWNVYTBIHUDIKH-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methoxy-4-methylaniline?
The IUPAC name of 2-tert-butyl-6-methoxy-4-methylaniline (CID 175292269) is 2-tert-butyl-6-methoxy-4-methylaniline.
What is the SMILES notation for 2-tert-butyl-6-methoxy-4-methylaniline?
The canonical SMILES for 2-tert-butyl-6-methoxy-4-methylaniline is COc1cc(C)cc(C(C)(C)C)c1N.
What is the InChIKey of 2-tert-butyl-6-methoxy-4-methylaniline?
The InChIKey is RWNVYTBIHUDIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-6-9(12(2,3)4)11(13)10(7-8)14-5/h6-7H,13H2,1-5H3.
What are the key properties of 2-tert-butyl-6-methoxy-4-methylaniline?
2-tert-butyl-6-methoxy-4-methylaniline has a molecular weight of 193.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methoxy-4-methylaniline is sourced from PubChem (CID 175292269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).