2-methoxy-5-methylaniline

C8H11NO — CID 8445

IUPAC2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1N
InChIInChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
InChIKeyWXWCDTXEKCVRRO-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.59
Rot. Bonds1

About 2-methoxy-5-methylaniline

2-methoxy-5-methylaniline (PubChem CID 8445) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-methoxy-5-methylaniline.

Molecular Properties

Compound Name2-methoxy-5-methylaniline
PubChem CID8445
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1N
InChIInChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
InChIKeyWXWCDTXEKCVRRO-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.59
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-methoxy-5-methylaniline?
The IUPAC name of 2-methoxy-5-methylaniline (CID 8445) is 2-methoxy-5-methylaniline.
What is the SMILES notation for 2-methoxy-5-methylaniline?
The canonical SMILES for 2-methoxy-5-methylaniline is COc1ccc(C)cc1N.
What is the InChIKey of 2-methoxy-5-methylaniline?
The InChIKey is WXWCDTXEKCVRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3.
What are the key properties of 2-methoxy-5-methylaniline?
2-methoxy-5-methylaniline has a molecular weight of 137.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylaniline is sourced from PubChem (CID 8445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).