4-tert-butyl-5-methoxy-2-methylaniline

C12H19NO — CID 59687322

IUPAC4-tert-butyl-5-methoxy-2-methylaniline
SMILESCOc1cc(N)c(C)cc1C(C)(C)C
InChIInChI=1S/C12H19NO/c1-8-6-9(12(2,3)4)11(14-5)7-10(8)13/h6-7H,13H2,1-5H3
InChIKeyNWGLULGIQCAEDP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.88
Rot. Bonds1

About 4-tert-butyl-5-methoxy-2-methylaniline

4-tert-butyl-5-methoxy-2-methylaniline (PubChem CID 59687322) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-tert-butyl-5-methoxy-2-methylaniline.

Molecular Properties

Compound Name4-tert-butyl-5-methoxy-2-methylaniline
PubChem CID59687322
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-tert-butyl-5-methoxy-2-methylaniline
SMILESCOc1cc(N)c(C)cc1C(C)(C)C
InChIInChI=1S/C12H19NO/c1-8-6-9(12(2,3)4)11(14-5)7-10(8)13/h6-7H,13H2,1-5H3
InChIKeyNWGLULGIQCAEDP-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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Related Compounds

1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
4-tert-butyl-5-methoxy-2-methylbenzaldehyde
CID 105459168
1-tert-butyl-2-methoxy-5-methyl-4-methylsulfonylbenzene
CID 155748000
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666
4-(4-tert-butyl-5-methoxy-2-methylphenyl)butan-1-amine
CID 117377717
2-(5-tert-butyl-4-methoxy-2-methylphenyl)acetamide
CID 82496629
2-tert-butyl-6-methoxy-4-methylaniline
CID 175292269
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890
4-amino-2-methoxy-5-methylbenzonitrile
CID 23068192
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 82287187
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methoxy-2-methylaniline?
The IUPAC name of 4-tert-butyl-5-methoxy-2-methylaniline (CID 59687322) is 4-tert-butyl-5-methoxy-2-methylaniline.
What is the SMILES notation for 4-tert-butyl-5-methoxy-2-methylaniline?
The canonical SMILES for 4-tert-butyl-5-methoxy-2-methylaniline is COc1cc(N)c(C)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methoxy-2-methylaniline?
The InChIKey is NWGLULGIQCAEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-6-9(12(2,3)4)11(14-5)7-10(8)13/h6-7H,13H2,1-5H3.
What are the key properties of 4-tert-butyl-5-methoxy-2-methylaniline?
4-tert-butyl-5-methoxy-2-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 4-tert-butyl-5-methoxy-2-methylaniline is sourced from PubChem (CID 59687322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).