2-methyl-4-propan-2-yloxyaniline

C10H15NO — CID 16787483

IUPAC2-methyl-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1N
InChIInChI=1S/C10H15NO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-7H,11H2,1-3H3
InChIKeyDOTUVNACBIUMNQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.36
Rot. Bonds2

About 2-methyl-4-propan-2-yloxyaniline

2-methyl-4-propan-2-yloxyaniline (PubChem CID 16787483) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-methyl-4-propan-2-yloxyaniline
PubChem CID16787483
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-methyl-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1N
InChIInChI=1S/C10H15NO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-7H,11H2,1-3H3
InChIKeyDOTUVNACBIUMNQ-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.36
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-methyl-4-propan-2-yloxyaniline?
The IUPAC name of 2-methyl-4-propan-2-yloxyaniline (CID 16787483) is 2-methyl-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-methyl-4-propan-2-yloxyaniline?
The canonical SMILES for 2-methyl-4-propan-2-yloxyaniline is Cc1cc(OC(C)C)ccc1N.
What is the InChIKey of 2-methyl-4-propan-2-yloxyaniline?
The InChIKey is DOTUVNACBIUMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-7H,11H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yloxyaniline?
2-methyl-4-propan-2-yloxyaniline has a molecular weight of 165.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yloxyaniline is sourced from PubChem (CID 16787483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).