4-methoxy-3,5-dimethylaniline

C9H13NO — CID 4166097

IUPAC4-methoxy-3,5-dimethylaniline
SMILESCOc1c(C)cc(N)cc1C
InChIInChI=1S/C9H13NO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,10H2,1-3H3
InChIKeyHUPGZEYAAFYLSC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.89
Rot. Bonds1

About 4-methoxy-3,5-dimethylaniline

4-methoxy-3,5-dimethylaniline (PubChem CID 4166097) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethylaniline.

Molecular Properties

Compound Name4-methoxy-3,5-dimethylaniline
PubChem CID4166097
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-methoxy-3,5-dimethylaniline
SMILESCOc1c(C)cc(N)cc1C
InChIInChI=1S/C9H13NO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,10H2,1-3H3
InChIKeyHUPGZEYAAFYLSC-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.89
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-3,5-dimethylaniline?
The IUPAC name of 4-methoxy-3,5-dimethylaniline (CID 4166097) is 4-methoxy-3,5-dimethylaniline.
What is the SMILES notation for 4-methoxy-3,5-dimethylaniline?
The canonical SMILES for 4-methoxy-3,5-dimethylaniline is COc1c(C)cc(N)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethylaniline?
The InChIKey is HUPGZEYAAFYLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,10H2,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethylaniline?
4-methoxy-3,5-dimethylaniline has a molecular weight of 151.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethylaniline is sourced from PubChem (CID 4166097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).