3-methoxy-5-propan-2-yloxyaniline

C10H15NO2 — CID 11571905

IUPAC3-methoxy-5-propan-2-yloxyaniline
SMILESCOc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C10H15NO2/c1-7(2)13-10-5-8(11)4-9(6-10)12-3/h4-7H,11H2,1-3H3
InChIKeyZTNMOMWZVSANDW-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.06
Rot. Bonds3

About 3-methoxy-5-propan-2-yloxyaniline

3-methoxy-5-propan-2-yloxyaniline (PubChem CID 11571905) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-methoxy-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-methoxy-5-propan-2-yloxyaniline
PubChem CID11571905
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-methoxy-5-propan-2-yloxyaniline
SMILESCOc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C10H15NO2/c1-7(2)13-10-5-8(11)4-9(6-10)12-3/h4-7H,11H2,1-3H3
InChIKeyZTNMOMWZVSANDW-UHFFFAOYSA-N
XLogP2.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-propan-2-yloxyaniline?
The IUPAC name of 3-methoxy-5-propan-2-yloxyaniline (CID 11571905) is 3-methoxy-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-methoxy-5-propan-2-yloxyaniline?
The canonical SMILES for 3-methoxy-5-propan-2-yloxyaniline is COc1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 3-methoxy-5-propan-2-yloxyaniline?
The InChIKey is ZTNMOMWZVSANDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)13-10-5-8(11)4-9(6-10)12-3/h4-7H,11H2,1-3H3.
What are the key properties of 3-methoxy-5-propan-2-yloxyaniline?
3-methoxy-5-propan-2-yloxyaniline has a molecular weight of 181.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-propan-2-yloxyaniline is sourced from PubChem (CID 11571905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).