4-methoxy-2-methyl-5-propan-2-ylaniline

C11H17NO — CID 644758

IUPAC4-methoxy-2-methyl-5-propan-2-ylaniline
SMILESCOc1cc(C)c(N)cc1C(C)C
InChIInChI=1S/C11H17NO/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7H,12H2,1-4H3
InChIKeyVJVZQTWHVGFVQE-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.71
Rot. Bonds2

About 4-methoxy-2-methyl-5-propan-2-ylaniline

4-methoxy-2-methyl-5-propan-2-ylaniline (PubChem CID 644758) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-methoxy-2-methyl-5-propan-2-ylaniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-5-propan-2-ylaniline
PubChem CID644758
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-methoxy-2-methyl-5-propan-2-ylaniline
SMILESCOc1cc(C)c(N)cc1C(C)C
InChIInChI=1S/C11H17NO/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7H,12H2,1-4H3
InChIKeyVJVZQTWHVGFVQE-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.71
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 4-methoxy-2-methyl-5-propan-2-ylaniline?
The IUPAC name of 4-methoxy-2-methyl-5-propan-2-ylaniline (CID 644758) is 4-methoxy-2-methyl-5-propan-2-ylaniline.
What is the SMILES notation for 4-methoxy-2-methyl-5-propan-2-ylaniline?
The canonical SMILES for 4-methoxy-2-methyl-5-propan-2-ylaniline is COc1cc(C)c(N)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-5-propan-2-ylaniline?
The InChIKey is VJVZQTWHVGFVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7H,12H2,1-4H3.
What are the key properties of 4-methoxy-2-methyl-5-propan-2-ylaniline?
4-methoxy-2-methyl-5-propan-2-ylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-5-propan-2-ylaniline is sourced from PubChem (CID 644758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).